SCHEMBL163957

SCHEMBL163957

CCOc1cnc(-c2cccc(Cc3nn(-c4cccc(C#N)c4)ccc3=S)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.43
GRM5 P41594 5/20 0.42
NQO2 P16083 1/20 0.41
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
MAPK10 P53779 1/20 0.36
ALKBH1 Q13686 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
PGGT1B P53609 3/20 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
SCHEMBL13274895 0.90 MET (0.44) METGRM5NQO2GABRG2GABRB3
SCHEMBL256018 0.86 TP53 (0.35) METNQO2
SCHEMBL13274649 0.82 MET (0.45) METGRM5NQO2ALKBH1
SCHEMBL173429 0.82 BRD4 (0.34) METNQO2
SCHEMBL2221042 0.81 MET (0.41) METNQO2ALKBH1FNTAFNTB
SCHEMBL2268200 0.81 MET (0.40) METNQO2ALKBH1FNTAFNTB
SCHEMBL13275105 0.80 MET (0.46) METGRM5NQO2ALKBH1
SCHEMBL13275648 0.80 MET (0.40) METNQO2ALKBH1FNTAFNTB
SCHEMBL13275034 0.80 ALKBH1 (0.43) METGRM5NQO2GABRG2GABRB3
SCHEMBL2351533 0.80 MET (0.39) METGRM5NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 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-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MET 1/4885GRM5 1037/4885NQO2 1185/4885

“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.