SCHEMBL14739508

SCHEMBL14739508

NCc1ccc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
GSK3A P49840 4/20 0.40
GSK3B P49841 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7711531 0.88 RIPK1 (0.43) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL7714695 0.87 KDM4E (0.45) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL7704641 0.84 GSK3B (0.43) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL7705212 0.84 CYP19A1 (0.44) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL14753493 0.82 CCNB2 (0.36) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL14739403 0.82 PTGS2 (0.50) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL7714731 0.81 TUBB4A (0.47) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL7711065 0.80 CDK1 (0.45) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL14753466 0.80 CCNB2 (0.42) KDM4EMAPTCCNB2CDK1CCNB1
SCHEMBL14753475 0.79 MAPK13 (0.40) KDM4EMAPTCCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 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 (1 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 KDM4E 307/4885MAPT 969/4885CCNB2 2304/4885

“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.