SCHEMBL358992

SCHEMBL358992

COCCOc1cnc2ccc(N)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 2/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MET P08581 6/20 0.41
NCF1 P14598 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL620427 0.82 ALDH1A1 (0.54) EGFRPDE10AALDH1A1F2GLA
SCHEMBL187431 0.82 FBP1 (0.44) EGFRALDH1A1F2GLAHPGD
SCHEMBL358693 0.82 CNR1 (0.47) PDE10AALDH1A1F2GLAHPGD
SCHEMBL8560716 0.80 TSHR (0.49) ALDH1A1HPGDMETKDM4EMAPT
SCHEMBL187290 0.79 CBFB (0.57) ALDH1A1F2GLAHPGDMET
SCHEMBL186985 0.78 PDGFRB (0.43) EGFRALDH1A1F2GLAHPGD
SCHEMBL186997 0.78 FDPS (0.43) EGFRALDH1A1F2GLAHPGD
SCHEMBL359221 0.77 ALDH1A1 (0.50) ALDH1A1F2GLAHPGDMET
SCHEMBL359222 0.77 MET (0.47) PDE10AALDH1A1F2GLAHPGD
SCHEMBL370132 0.77 CBFB (0.46) PDE10AALDH1A1F2GLAHPGD

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 EGFR 29/4885PDE10A 3303/4885ALDH1A1 762/4885

“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.