SCHEMBL7711531

SCHEMBL7711531

OCc1ccc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
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
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 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
RHEB Q15382 2/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL14739508 0.88 KDM4E (0.45) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7705212 0.87 CYP19A1 (0.44) RIPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL7714695 0.84 KDM4E (0.45) RIPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL7704641 0.84 GSK3B (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14753493 0.82 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14753466 0.82 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7711065 0.82 CDK1 (0.45) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14738981 0.82 RHEB (0.41) KDM4EALDH1A1RHEBNAMPTCYP1A2
SCHEMBL14739561 0.81 MAPK13 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7714731 0.81 TUBB4A (0.47) RIPK1CCNB2CDK1CCNB1GSK3A

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 4 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
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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 (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 RIPK1 2088/4885CCNB2 2304/4885CDK1 1779/4885

“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.