SCHEMBL5283622

SCHEMBL5283622

CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nc(C(C)(C)O)cs5)sc34)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.47
MET P08581 7/20 0.37
AURKA O14965 2/20 0.34
TEK Q02763 2/20 0.34
AURKB Q96GD4 2/20 0.34
LCK P06239 2/20 0.34
RAF1 P04049 6/20 0.34
BRAF P15056 5/20 0.34
FLT1 P17948 2/20 0.33
PIK3CA P42336 1/20 0.33
MAPK14 Q16539 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT4 P35916 1/20 0.33
MST1R Q04912 1/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL5239927 0.92 KDR (0.47) KDRMETAURKATEKAURKB
SCHEMBL5244280 0.90 KDR (0.41) KDRMETAURKATEKAURKB
SCHEMBL5243150 0.89 KDR (0.49) KDRMETAURKATEKAURKB
SCHEMBL5242926 0.87 KDR (0.49) KDRMETAURKATEKAURKB
SCHEMBL5274402 0.87 KDR (0.44) KDRMETAURKATEKAURKB
SCHEMBL5241475 0.86 KDR (0.50) KDRMETAURKATEKAURKB
SCHEMBL6761183 0.85 KDR (0.46) KDRMETAURKATEKAURKB
SCHEMBL5242193 0.84 KDR (0.51) KDRMETAURKATEKAURKB
SCHEMBL5243423 0.83 KDR (0.49) KDRMETAURKATEKAURKB
SCHEMBL5244129 0.82 KDR (0.48) KDRMETAURKATEKAURKB

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
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 EP disclosed
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-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 (2 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-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 2469/4885AURKA 1543/4885
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 2699/4885AURKA 1545/4885

“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.