SCHEMBL7705212

SCHEMBL7705212

Oc1ccc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CCNB2 O95067 5/20 0.40
CDK1 P06493 5/20 0.40
CCNB1 P14635 5/20 0.40
GSK3A P49840 5/20 0.40
GSK3B P49841 5/20 0.40
CCNB3 Q8WWL7 5/20 0.40
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
RIPK1 Q13546 2/20 0.40
RHEB Q15382 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL7704641 0.88 GSK3B (0.43) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL7714695 0.88 KDM4E (0.45) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL7711531 0.87 RIPK1 (0.43) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL7711065 0.85 CDK1 (0.45) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL14753466 0.85 CCNB2 (0.42) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL14739508 0.84 KDM4E (0.45) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL7714731 0.84 TUBB4A (0.47) MAPK14CCNB2CDK1CCNB1GSK3A
SCHEMBL14739318 0.83 NAMPT (0.43) GSK3BKDM4EMAPTALDH1A1HPGD
SCHEMBL14753452 0.83 ALDH1A1 (0.43) MAPK13MAPK12MAPK11MAPK14TUBB4A
SCHEMBL14739403 0.82 PTGS2 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B

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 CYP19A1 339/4885MAPK13 3456/4885MAPK12 2906/4885

“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.