SCHEMBL12020144

SCHEMBL12020144

CCc1cnc2c(c1)OCCN2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.60
FEN1 P39748 16/20 0.40
ALOX5AP P20292 16/20 0.40
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22652321 0.88 GRM5 (0.58) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL19737641 0.83 GRM5 (0.56) GRM5FEN1ALOX5AP
SCHEMBL91447 0.78 GRM5 (0.54) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL30657929 0.78 GRM5 (0.54) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL15889739 0.77 GRM5 (0.63) GRM5FEN1ALOX5AP
SCHEMBL16256878 0.77 NNMT (0.53) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL19286094 0.76 GRM5 (0.46) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL21089746 0.75 GRM5 (0.42) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL22225994 0.75 GRM5 (0.45) GRM5ALDH1A1MAPTHSD17B10
SCHEMBL18307148 0.75 GRM5 (0.54) GRM5FEN1ALOX5APALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856736-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2021-08-04 EP disclosed
US-10640503-B2 Imidazopyridines and imidazopyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
WO-2020065048-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2020-04-02 WO disclosed
US-20190040058-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2019-02-07 US disclosed
US-9695168-B2 Substituted imidazo[1,5-α]pyridines and imidazo[1,5-α]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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 (8 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-20190040058-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B GRM5 768/4885FEN1 3278/4885ALOX5AP 2245/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 GRM5 1877/4885FEN1 3297/4885ALOX5AP 3801/4885
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 GRM5 1323/4885FEN1 3181/4885ALOX5AP 17/4885
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET GRM5 687/4885FEN1 2666/4885ALOX5AP 3823/4885
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 GRM5 1129/4885FEN1 3090/4885ALOX5AP 17/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 GRM5 1888/4885FEN1 3152/4885ALOX5AP 3403/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 GRM5 1919/4885FEN1 3081/4885ALOX5AP 3395/4885
US-10640503-B2 Imidazopyridines and imidazopyrazines as LSD1 inhibitors KDM5A, KDM1A, KDM1B GRM5 768/4885FEN1 3278/4885ALOX5AP 2245/4885

“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.