SCHEMBL368129

SCHEMBL368129

COCCOc1cnc2ccc(OCc3nn(-c4cnn(C)c4)ccc3=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.40
MET P08581 12/20 0.38
PDE10A Q9Y233 1/20 0.36
CYP3A4 P08684 1/20 0.35
GRM4 Q14833 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL359817 0.91 MET (0.40) METPDE10AFGFR1FGFR2FGFR4
SCHEMBL173298 0.90 BRD4 (0.38) METPDE10AFGFR1FGFR2FGFR3
SCHEMBL368757 0.90 MET (0.37) MIFMETCYP3A4GRM4APP
SCHEMBL2266767 0.89 MET (0.43) MET
SCHEMBL367900 0.88 MET (0.39) METPDE10AFGFR1FGFR2FGFR3
SCHEMBL10283519 0.88 MET (0.42) MET
SCHEMBL367996 0.88 FGFR3 (0.38) MIFMETPDE10AGRM4FGFR1
SCHEMBL360598 0.87 PDE10A (0.38) METPDE10AFGFR1FGFR3
SCHEMBL178094 0.87 MET (0.44) METFGFR1FGFR3
SCHEMBL255618 0.87 PDE10A (0.38) METPDE10AFGFR1FGFR2FGFR4

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-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
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 MIF 945/4885MET 3/4885PDE10A 3303/4885

“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.