SCHEMBL2221042

SCHEMBL2221042

CCOc1cnc(-c2cccc(Cc3nn(-c4ccc(C#N)cc4)ccc3=O)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.41
NQO2 P16083 1/20 0.40
HIF1A Q16665 1/20 0.36
FNTA P49354 6/20 0.36
FNTB P49356 6/20 0.36
PGGT1B P53609 6/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
ALKBH1 Q13686 1/20 0.33
SLC5A1 P13866 1/20 0.33

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 0.92 MET (0.44) METNQO2FNTAFNTBPGGT1B
SCHEMBL2268200 0.91 MET (0.40) METNQO2FNTAFNTBPGGT1B
SCHEMBL13274518 0.91 MET (0.43) METNQO2CYP11B1CYP11B2MEN1
SCHEMBL13274659 0.90 MAOB (0.41) METNQO2CYP11B1CYP11B2ALKBH1
SCHEMBL13275648 0.90 MET (0.40) METNQO2FNTAFNTBPGGT1B
SCHEMBL13274560 0.89 MET (0.41) METNQO2CYP11B1CYP11B2ALKBH1
SCHEMBL2351533 0.89 MET (0.39) METNQO2FGFR3KDR
SCHEMBL13275082 0.87 CYP11B1 (0.39) METNQO2CYP11B1CYP11B2FGFR3
SCHEMBL13275055 0.87 HSD17B13 (0.38) METNQO2CYP11B1CYP11B2
SCHEMBL13274649 0.85 MET (0.45) METNQO2ALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 MET 2/4885NQO2 1984/4885HIF1A 1390/4885

“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.