SCHEMBL367859

SCHEMBL367859

Cn1cc(-n2ccc(=O)c(CNc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
MET P08581 12/20 0.43
NPC1 O15118 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
DHFR P00374 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NSD2 O96028 1/20 0.38
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL360609 0.84 FGFR3 (0.38) METNPC1KDM4EALDH1A1PDE3B
SCHEMBL2223043 0.83 MET (0.52) METPDE10A
SCHEMBL164181 0.83 MET (0.53) MET
SCHEMBL162668 0.82 MET (0.43) METPDE10AKDM4EALDH1A1PDE3B
SCHEMBL369358 0.82 MET (0.43) EGFRERBB2ERBB4METPDE10A
SCHEMBL360629 0.82 MET (0.45) METPDE10APDE3BPDE3ADYRK1A
SCHEMBL10283808 0.82 MET (0.38) METCYP3A4
SCHEMBL358990 0.81 MET (0.45) EGFRERBB2ERBB4METPDE10A
SCHEMBL367896 0.80 MET (0.44) METPDE10APDE3BPDE3AWNT1
SCHEMBL14917080 0.80 MET (0.52) METPDE10APDE3BPDE3A

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 7 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
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 29/4885ERBB2 2/4885ERBB4 10/4885

“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.