Cevipabulin

Cevipabulin

SCHEMBL4565043

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

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 11)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 1/20 0.30
HRH1 known ✓ P35367 1/20 0.30
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NSD2 O96028 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MBOAT4 Q96T53 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
LSS P48449 1/20 0.30
ENPP1 P22413 1/20 0.30

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 SCHEMBL4219378 1.00 ALDH1A1 (0.31) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4222922 1.00 ALDH1A1 (0.31) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4565044 1.00 ALDH1A1 (0.31) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4220951 0.99 ALDH1A1 (0.31) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4220953 0.99 ALDH1A1 (0.31) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4565095 0.94 ENPP1 (0.34) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4211390 0.94 ENPP1 (0.34) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL4216639 0.93 ENPP1 (0.34) ALDH1A1KDM4ENSD2SMN1; SMN2MBOAT4
Cevipabulin SCHEMBL5755942 0.93 MBOAT4 (0.34) ALDH1A1MBOAT4POLBTSHRKMT2A
Cevipabulin SCHEMBL4484813 0.92 MBOAT4 (0.34) ALDH1A1MBOAT4POLBTSHRKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
US-7419982-B2 Crystalline forms of 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts WYETH HOLDINGS CORPORATION (US) 2008-09-02 US disclosed
US-20070060597-A1 Crystalline forms of 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts WYETH (US) 2007-03-15 US disclosed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP disclosed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 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 (2 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-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents ABCC1, ABCB1, TUBB6 KMT2A 3055/4885HRH1 4150/4885ALDH1A1 1838/4885
US-20070060597-A1 Crystalline forms of 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts HCCS, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 940/4885HRH1 4065/4885ALDH1A1 971/4885

“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.