SCHEMBL6330218

SCHEMBL6330218

Oc1ccc(Nc2ncc(-c3ccccc3)s2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.79
ROCK1 Q13464 1/20 0.56
LIMK1 P53667 1/20 0.55
LIMK2 P53671 1/20 0.55
NAMPT P43490 3/20 0.55
ALOX5 P09917 1/20 0.52
AMY1A P0DUB6 1/20 0.52
VCP P55072 1/20 0.52
CNR1 P21554 1/20 0.52

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
SCHEMBL3606835 0.94 KDR (0.79) KDRROCK1LIMK1LIMK2NAMPT
SCHEMBL3651635 0.89 KDR (1.00) KDRROCK1NAMPT
SCHEMBL3605321 0.86 KDR (0.58) KDRROCK1LIMK1LIMK2NAMPT
SCHEMBL6332623 0.84 KDR (0.79) KDRROCK1LIMK1NAMPTCNR1
SCHEMBL20380021 0.84 KDR (0.79) KDRROCK1NAMPT
SCHEMBL20379918 0.84 KDR (0.72) KDRROCK1NAMPTCNR1
SCHEMBL3602543 0.83 VCP (0.58) KDRLIMK1LIMK2NAMPTVCP
SCHEMBL6330404 0.83 KDR (1.00) KDRROCK1LIMK1NAMPT
SCHEMBL6336620 0.82 KDR (0.74) KDRROCK1NAMPT
SCHEMBL3602411 0.82 KDR (0.53) KDRROCK1LIMK1LIMK2NAMPT

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 5/4885ROCK1 152/4885LIMK1 189/4885

“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.