SCHEMBL6328803

SCHEMBL6328803

Cc1cc(CO)cc(Nc2ncc(C#N)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6330781 0.86 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6330948 0.78 KDR (0.68) KDR
SCHEMBL5743358 0.75 KDR (0.48) KDR
SCHEMBL5742162 0.73 KDR (0.49) KDR
SCHEMBL5744443 0.72 KDR (0.56) KDR
SCHEMBL7228107 0.70 KDR (0.55) KDR
SCHEMBL6332164 0.69 KDR (0.45) KDR
SCHEMBL6330170 0.68 KDR (0.65) KDRNPC1RAB9ASMN1; SMN2
SCHEMBL5741877 0.68 KDR (0.61) KDR
SCHEMBL7237383 0.68 KDR (0.63) KDRNPC1RAB9A

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-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 US claimed
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 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-20050228031-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885NPC1 3497/4885RAB9A 2382/4885

“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.