SCHEMBL4546577

SCHEMBL4546577

CC(C)c1cnnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 3/20 0.44
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TGFBR1 P36897 1/20 0.37
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ MPO P05164 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL22125010 0.80 GPR3 (0.44) GPR3CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL22304325 0.77 RPS6KA3 (0.34) —
SCHEMBL22303825 0.76 MAPT (0.38) CYP2C19TGFBR1GABRA1GABRB2LMNA
SCHEMBL25679925 0.75 GPR3 (0.36) GPR3CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL27010744 0.74 ELANE (0.41) CYP1A2CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL13051659 0.74 LMNA (0.47) CYP1A2CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL12702732 0.74 GABRA1 (0.39) GPR3CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14518818 0.73 ELANE (0.41) GPR3CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL436407 0.72 GPR3 (0.50) GPR3CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9114832 0.72 GPR3 (0.44) GPR3CYP1A2CYP2C19ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 — — EP disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 — — WO disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 — — US disclosed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 — — US disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2023-05-09 — — US disclosed
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2023-05-09 — — US disclosed
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2021-10-21 — — US disclosed
US-20210253599-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2021-08-19 — — US disclosed
US-10906918-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2021-02-02 — — US disclosed
WO-2010091176-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2010-08-12 — — WO disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-7678798-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2010-03-16 — — US disclosed
US-7678798-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2010-03-16 — — US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 — — US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 — — US disclosed
US-20090192175-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2009-07-30 — — US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 — — US disclosed
WO-2007139464-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER ASTRAZENECA AB (SE) 2007-12-06 — — WO 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 (11 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 GPR3 3021/4885CYP1A2 4090/4885CYP2C19 4332/4885
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L GPR3 1267/4885CYP1A2 88/4885CYP2C19 86/4885
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB GPR3 4079/4885CYP1A2 1595/4885CYP2C19 562/4885
US-20210253599-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB GPR3 4079/4885CYP1A2 1595/4885CYP2C19 562/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 GPR3 986/4885CYP1A2 49/4885CYP2C19 333/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB GPR3 4079/4885CYP1A2 1595/4885CYP2C19 562/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L GPR3 2632/4885CYP1A2 78/4885CYP2C19 56/4885
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH GPR3 4851/4885CYP1A2 798/4885CYP2C19 1391/4885
US-20090192175-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CYP1B1 GPR3 998/4885CYP1A2 10/4885CYP2C19 403/4885
US-10906918-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB GPR3 4079/4885CYP1A2 1595/4885CYP2C19 562/4885
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 GPR3 73/4885CYP1A2 1335/4885CYP2C19 1106/4885

“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.

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