SCHEMBL7707563

SCHEMBL7707563

CSc1ccc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
GSK3B P49841 5/20 0.36
CCNB2 O95067 4/20 0.36
CDK1 P06493 4/20 0.36
CCNB1 P14635 4/20 0.36
GSK3A P49840 4/20 0.36
CCNB3 Q8WWL7 4/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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 0.87 GSK3B (0.43) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL14753445 0.87 MAPT (0.33) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL14753441 0.84 L3MBTL1 (0.37) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL14739334 0.84 MAPK13 (0.36) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL14739529 0.84 CDK1 (0.42) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL14739772 0.82 PTGS2 (0.45) MAPK14MAPK13MAPK12MAPK11FAAH
SCHEMBL14753451 0.82 TGFBR1 (0.38) MAPK14MAPK13MAPK12MAPK11TUBB4A
SCHEMBL14753440 0.80 FAAH (0.33) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7714660 0.80 FAAH (0.32) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL14739401 0.79 MAPK13 (0.36) MAPK14MAPK13MAPK12MAPK11GSK3B

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
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN 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 MAPK14 2810/4885MAPK13 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.