SCHEMBL4166587

SCHEMBL4166587

Cc1nn(C)c(C(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PIM3 Q86V86 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKACA P17612 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP2K1 Q02750 1/20 0.42
PRKCQ Q04759 1/20 0.42
ACVR1 Q04771 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
Hydrochloric Acid SCHEMBL28348295 0.98 KDM4E (0.44) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL1095 0.81 PIM3 (0.49) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL20488091 0.81 CCNA2 (0.39) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL4763456 0.80 MAPT (0.44) KDM4ESMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL18382968 0.80 KDM4E (0.43) KDM4ESMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL28285912 0.79 KDM4E (0.43) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL15230652 0.79 SMN1; SMN2 (0.48) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL9410482 0.79 KDM4E (0.66) KDM4EPIM3DAPK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL10919018 0.79 PIM3 (0.47) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL18859090 0.78 KDM4E (0.38) KDM4EPIM3DAPK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189841-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-01-29 US claimed
CN-108473495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2018-08-31 CN claimed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 US claimed
US-20240425513-A1 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 CARMOT THERAPEUTICS, INC. 2024-12-26 US disclosed
CN-114702495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-07-05 CN disclosed
CN-108473495-B Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-04-12 CN disclosed
US-10399980-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-03 US disclosed
US-10189841-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-01-29 US disclosed
US-20180339986-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2018-11-29 US disclosed
CN-108349962-A Substituted pyrazole and pyrrole compounds and methods of using the same for inhibiting translation initiation and treating diseases and disorders associated therewith 班塔姆制药有限责任公司 2018-07-31 CN disclosed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 US disclosed
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
CN-106243090-A As 2 (phenyl or the pyridine 3 base) aminopyridine derivative for treating Parkinsonian kinases LRRK2 regulator 霍夫曼-拉罗奇有限公司 2016-12-21 CN disclosed
CN-103958503-B 2- (phenyl or pyridin-3-yl) aminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease 霍夫曼-拉罗奇有限公司 2016-09-28 CN disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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 (7 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-20180339986-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 KDM4E 1002/4885PIM3 3899/4885DAPK3 3840/4885
US-10189841-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 KDM4E 1002/4885PIM3 3899/4885DAPK3 3840/4885
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS CYP4F3, PYM1, PRDX4 KDM4E 1824/4885PIM3 3556/4885DAPK3 3261/4885
US-10399980-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 KDM4E 1002/4885PIM3 3899/4885DAPK3 3840/4885
US-20240425513-A1 OXAZOLE, OXADIAZOLE, AND INDOLE DERIVATIVES FOR THE INHIBITION OF USP28 USP28, USP25, USP39 KDM4E 1197/4885PIM3 1492/4885DAPK3 1058/4885
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 KDM4E 1002/4885PIM3 3899/4885DAPK3 3840/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 KDM4E 2026/4885PIM3 4820/4885DAPK3 760/4885

“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.