SCHEMBL359221

SCHEMBL359221

COCCOc1cnc2ccc(C(C)=O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
F2 P00734 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
MET P08581 7/20 0.41
MAPT P10636 1/20 0.40
CHEK2 O96017 1/20 0.40
MAP4K4 O95819 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
CBFB Q13951 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGDS O60760 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11155451 0.84 ALDH1A1 (0.64) ALDH1A1F2GLAHPGDMAP4K4
SCHEMBL187290 0.78 CBFB (0.57) ALDH1A1F2GLAHPGDMET
SCHEMBL358992 0.77 EGFR (0.42) ALDH1A1F2GLAHPGDMET
SCHEMBL187431 0.77 FBP1 (0.44) ALDH1A1F2GLAHPGDMET
SCHEMBL358693 0.77 CNR1 (0.47) ALDH1A1F2GLAHPGDMET
SCHEMBL2698219 0.77 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDMET
SCHEMBL186997 0.77 FDPS (0.43) ALDH1A1F2GLAHPGDMET
SCHEMBL10306524 0.76 L3MBTL1 (0.61) ALDH1A1HPGDL3MBTL1GAAMAPT
SCHEMBL14579711 0.76 L3MBTL1 (0.46) ALDH1A1L3MBTL1GAAMAPT
SCHEMBL359222 0.76 MET (0.47) ALDH1A1F2GLAHPGDMET

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
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET ALDH1A1 762/4885F2 4859/4885GLA 4198/4885

“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.