SCHEMBL360549

SCHEMBL360549

Cc1ccnc2ccc(OCc3nn(-c4cnn(C)c4)ccc3=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.36
HDAC1 Q13547 4/20 0.36
GRM4 Q14833 2/20 0.36
PDE10A Q9Y233 2/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MCHR1 Q99705 2/20 0.33
ACVR1 Q04771 1/20 0.32
FLT3 P36888 1/20 0.32
MST1R Q04912 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
SCHEMBL359783 0.90 MET (0.35) METHDAC1GRM4PDE10ACCNC
SCHEMBL359318 0.90 MET (0.38) METHDAC1GRM4PDE10ACCNC
SCHEMBL359286 0.90 MET (0.39) METHDAC1GRM4PDE10ACCNC
SCHEMBL369336 0.88 MET (0.39) METHDAC1GRM4PDE10ACCNC
SCHEMBL14915754 0.87 PDE10A (0.38) METHDAC1GRM4PDE10AFLT3
SCHEMBL368727 0.86 MET (0.41) METHDAC1GRM4FLT3
SCHEMBL370284 0.84 MET (0.40) METHDAC1CCNCCDK8FLT3
SCHEMBL162668 0.84 MET (0.43) METPDE10A
SCHEMBL361506 0.82 PDE10A (0.42) METPDE10AMCHR1
SCHEMBL360598 0.82 PDE10A (0.38) METPDE10A

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 8 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 claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO 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 MET 3/4885HDAC1 1278/4885GRM4 1166/4885

“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.