SCHEMBL162897

SCHEMBL162897

CCOc1cnc2ccc(OCc3nn(-c4cnn(C)c4)ccc3=S)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
MET P08581 10/20 0.33
GRM4 Q14833 1/20 0.32
FGFR1 P11362 4/20 0.32
FGFR3 P22607 4/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
KDR P35968 2/20 0.32
PPARG P37231 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 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
SCHEMBL164663 0.90 MET (0.42) METFGFR1FGFR3FGFR2KDR
SCHEMBL173298 0.89 BRD4 (0.38) PDE10ABRD4CCL2METFGFR1
SCHEMBL163972 0.86 PDE10A (0.42) PDE10AMET
SCHEMBL174184 0.85 MET (0.38) METPPARG
SCHEMBL173934 0.83 PDE10A (0.38) PDE10AMETGRM4
SCHEMBL359817 0.80 MET (0.40) PDE10AMETFGFR1FGFR3FGFR2
SCHEMBL368129 0.79 MIF (0.40) PDE10AMETGRM4FGFR1FGFR3
SCHEMBL13275211 0.79 MET (0.41) MET
SCHEMBL358857 0.79 MET (0.38) PDE10AMET
SCHEMBL14926930 0.78 PDE10A (0.35) PDE10AMETFGFR1FGFR3FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP claimed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO 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
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 PDE10A 3997/4885BRD4 1043/4885CCL2 2986/4885

“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.