SCHEMBL361506

SCHEMBL361506

Cc1ccc2cc(OCc3nn(-c4cnn(C)c4)ccc3=O)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
MAOB P27338 2/20 0.33
NCF1 P14598 2/20 0.33
FGFR1 P11362 6/20 0.33
FGFR2 P21802 6/20 0.33
FGFR3 P22607 6/20 0.33
PPARG P37231 1/20 0.33
MET P08581 1/20 0.32
FGFR4 P22455 5/20 0.32
KDR P35968 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MIF P14174 2/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL358892 0.89 PDE10A (0.41) PDE10AFGFR1FGFR2FGFR3PPARG
SCHEMBL162668 0.86 MET (0.43) PDE10AMETPDE3BPDE3A
SCHEMBL360598 0.86 PDE10A (0.38) PDE10AFGFR1FGFR3MET
SCHEMBL178094 0.85 MET (0.44) FGFR1FGFR3MET
SCHEMBL359481 0.85 EGFR (0.41) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL359817 0.85 MET (0.40) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL255618 0.85 PDE10A (0.38) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL371323 0.84 MEN1 (0.45) PDE10AMAOBPPARGMETPDE3B
SCHEMBL14915754 0.84 PDE10A (0.38) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL360828 0.84 MET (0.39) PDE10AMETMCHR1

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-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
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

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 PDE10A 3303/4885MAOB 1465/4885NCF1 1083/4885

“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.