Cevipabulin

Cevipabulin

SCHEMBL4047501

CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1.Cl

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cevipabulin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR1 P34998 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cevipabulin SCHEMBL4484813 0.99 MBOAT4 (0.34) MBOAT4ALDH1A1POLBTSHRKMT2A
Cevipabulin SCHEMBL4042827 0.99 MBOAT4 (0.34) MBOAT4ALDH1A1POLBTSHRKMT2A
Cevipabulin SCHEMBL4477222 0.99 MBOAT4 (0.34) MBOAT4ALDH1A1POLBTSHRKMT2A
Cevipabulin SCHEMBL5755942 0.98 MBOAT4 (0.34) MBOAT4ALDH1A1POLBTSHRKMT2A
Cevipabulin SCHEMBL4488773 0.97 MBOAT4 (0.33) MBOAT4ALDH1A1POLBTSHRKMT2A
SCHEMBL4480772 0.96 MBOAT4 (0.33) MBOAT4ALDH1A1POLBTSHRKMT2A
SCHEMBL4483077 0.96 MBOAT4 (0.33) MBOAT4ALDH1A1POLBTSHRKMT2A
SCHEMBL4489209 0.96 MBOAT4 (0.33) MBOAT4ALDH1A1POLBTSHRKMT2A
Cevipabulin SCHEMBL4216639 0.94 ENPP1 (0.34) MBOAT4ALDH1A1POLBTSHRKMT2A
Cevipabulin SCHEMBL4565095 0.93 ENPP1 (0.34) MBOAT4ALDH1A1POLBTSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US claimed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP claimed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US claimed
EP-1680425-A1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-07-19 EP claimed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 US claimed
WO-2005030775-A1 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO claimed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 US claimed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
US-5541303-A 3,4'-dideoxymycaminosltylonolide derivative and process for producing the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1996-07-30 US claimed
US-20140291659-A1 DIOXAANTHANTHRENE COMPOUND, LAMINATED STRUCTURE AND FORMATION METHOD THEREOF, AND ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF SONY CORPORATION (JP) 2014-10-02 US disclosed
EP-2767540-A1 DIOXAANTHANTHRENE-BASED COMPOUND, LAMINATED STRUCTURE AND MOLDING METHOD THEREOF, AND ELECTRONIC DEVICE AND PRODUCTION METHOD THEREOF Sony Corporation (JP) 2014-08-20 EP disclosed
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed
US-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4076726-A Amidino-hydrazone derivatives AKZONA INCORPORATED (US) 1978-02-28 US disclosed
US-4028380-A Hydrazino-imidazole derivatives AKZONA INCORPORATED (US) 1977-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 MBOAT4 4632/4885ALDH1A1 1550/4885POLB 3620/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MBOAT4 4832/4885ALDH1A1 2206/4885POLB 3781/4885
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents ABCC1, ABCB1, TUBB6 MBOAT4 4305/4885ALDH1A1 1838/4885POLB 1330/4885
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 MBOAT4 1167/4885ALDH1A1 1919/4885POLB 4348/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.