SCHEMBL14739334

SCHEMBL14739334

C[S+]([O-])c1ccc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CCNB2 O95067 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
CCNB3 Q8WWL7 4/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
FAAH O00519 3/20 0.33
KCNH2 Q12809 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31

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
SCHEMBL14753440 0.88 FAAH (0.33) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL7714660 0.88 FAAH (0.32) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL7707563 0.84 MAPK14 (0.38) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL14739772 0.81 PTGS2 (0.45) MAPK13MAPK12MAPK11MAPK14FAAH
SCHEMBL14739529 0.81 CDK1 (0.42) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL14753445 0.80 MAPT (0.33) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL14753451 0.79 TGFBR1 (0.38) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL14739401 0.77 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL14753458 0.77 CYP1A2 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14739411 0.76 AXL (0.36) CDK5CDK5R1MAPTTGFBR1TGFBR2

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 2 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 disclosed
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN 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 MAPK13 3456/4885MAPK12 2906/4885MAPK11 3628/4885

“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.