SCHEMBL5888652

SCHEMBL5888652

Cc1c(C(=O)NCCCO)c2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2n1C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.49
FLT1 P17948 15/20 0.48
MET P08581 1/20 0.42

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
SCHEMBL14409832 0.89 KDR (0.45) KDRFLT1MET
SCHEMBL14409934 0.88 KDR (0.44) KDRFLT1MET
SCHEMBL5240496 0.87 KDR (0.45) KDRFLT1MET
SCHEMBL5243763 0.86 KDR (0.45) KDRFLT1MET
SCHEMBL5244749 0.85 KDR (0.47) KDRFLT1MET
SCHEMBL5242752 0.83 KDR (0.46) KDRFLT1
SCHEMBL5240438 0.81 KDR (0.46) KDRFLT1MET
SCHEMBL5241513 0.81 KDR (0.45) KDRFLT1MET
SCHEMBL5240135 0.80 KDR (0.43) KDRFLT1MET
SCHEMBL5240761 0.80 KDR (0.43) KDRFLT1MET

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 2 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-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

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-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 1885/4885FLT1 1091/4885MET 2469/4885

“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.