SCHEMBL46326

SCHEMBL46326

Cc1cnc2c(c1)OCCN2C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.57
CYP11B2 P19099 3/20 0.43
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CYP11B1 P15538 1/20 0.38
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MGLL Q99685 2/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL1053384 0.81 GRM5 (0.56) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL15520747 0.81 GRM5 (0.56) GRM5CYP11B2IRAK4CYP11B1MGLL
SCHEMBL18307164 0.81 GRM5 (0.56) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL2398608 0.81 GRM5 (0.56) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL2669710 0.81 GRM5 (0.40) GRM5CYP11B2KDM4EATMCYP11B1
Hydrochloric Acid SCHEMBL23168041 0.80 GRM5 (0.55) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL2459914 0.79 GRM5 (0.53) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL21863669 0.79 GRM5 (0.53) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL14820097 0.79 GRM5 (0.53) GRM5CYP11B2KDM4EATMIRAK4
SCHEMBL4547953 0.79 GRM5 (0.53) GRM5CYP11B2KDM4EATMIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078461-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-05-11 WO disclosed
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-10391076-B2 Anti-cancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LTD. (AU) 2019-08-27 US disclosed
US-10292960-B2 Anticancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2019-05-21 US disclosed
EP-3043791-B1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT PITNEY PHARMACEUTICALS PTY LTD (AU) 2019-04-24 EP disclosed
US-20180207124-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT PITNEY PHARMACEUTICALS PTY LIMITED (AU) 2018-07-26 US disclosed
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090270382-A1 Soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS, INC. 2009-10-29 US disclosed
WO-2009112677-A2 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed
WO-2009080291-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 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 (6 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-20090270382-A1 Soluble epoxide hydrolase inhibitors EPHX1, EPHX2, LTA4H GRM5 4218/4885CYP11B2 1507/4885KDM4E 1644/4885
US-10391076-B2 Anti-cancer agent comprising aminoacetonitrile compound as active ingredient RB1, CCNA1, CCNT1 GRM5 3706/4885CYP11B2 2932/4885KDM4E 2673/4885
US-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GRM5 887/4885CYP11B2 4635/4885KDM4E 1495/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GRM5 887/4885CYP11B2 4635/4885KDM4E 1495/4885
US-10292960-B2 Anticancer agent comprising aminoacetonitrile compound as active ingredient RB1, CCNA1, NAT1 GRM5 3982/4885CYP11B2 2567/4885KDM4E 3029/4885
US-20180207124-A1 ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT RB1, CCNA1, NAT1 GRM5 3982/4885CYP11B2 2567/4885KDM4E 3029/4885

“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.