SCHEMBL5886045

SCHEMBL5886045

CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5ccc(OC)cn5)sc34)ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.47
MET P08581 7/20 0.42
IGF1R P08069 4/20 0.39
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
MST1R Q04912 3/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 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
SCHEMBL5244129 0.89 KDR (0.48) KDRMETIGF1RAURKALCK
SCHEMBL5243069 0.87 KDR (0.45) KDRMETAURKALCKTEK
SCHEMBL5242193 0.86 KDR (0.51) KDRMETAURKALCKTEK
SCHEMBL5243423 0.86 KDR (0.49) KDRMETAURKALCKTEK
SCHEMBL5240281 0.85 KDR (0.48) KDRMETAURKALCKTEK
SCHEMBL5241680 0.85 MET (0.54) KDRMETAURKALCKTEK
SCHEMBL5241475 0.85 KDR (0.50) KDRMETAURKALCKTEK
SCHEMBL5243150 0.82 KDR (0.49) KDRMETAURKALCKTEK
SCHEMBL5240415 0.81 KDR (0.45) KDRMETAURKALCKTEK
SCHEMBL1617677 0.81 KDR (0.52) KDRMETIGF1RAURKALCK

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-7045528-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-04-13 US disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 US disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 US 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 (3 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-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP KDR 1885/4885MET 2469/4885IGF1R 4256/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP KDR 1885/4885MET 2469/4885IGF1R 4256/4885
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use TPD52L2, DPYD, CCND2 KDR 1802/4885MET 2699/4885IGF1R 4007/4885

“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.