SCHEMBL6330404

SCHEMBL6330404

c1ccc(-c2cnc(Nc3ccncc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
NAMPT P43490 1/20 0.62
LIMK1 P53667 1/20 0.54
ROCK1 Q13464 1/20 0.54

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
SCHEMBL3651635 0.90 KDR (1.00) KDRNAMPTROCK1
SCHEMBL445668 0.84 KDR (0.73) KDRNAMPTLIMK1ROCK1
SCHEMBL6330184 0.84 KDR (1.00) KDRLIMK1
SCHEMBL20380021 0.83 KDR (0.79) KDRNAMPTROCK1
SCHEMBL6330218 0.83 KDR (0.79) KDRNAMPTLIMK1ROCK1
SCHEMBL6332623 0.83 KDR (0.79) KDRNAMPTLIMK1ROCK1
SCHEMBL5889206 0.80 KDR (1.00) KDR
SCHEMBL6336620 0.80 KDR (0.74) KDRNAMPTROCK1
SCHEMBL6282391 0.80 CNR1 (0.74) KDRNAMPTROCK1
SCHEMBL3606835 0.79 KDR (0.79) KDRNAMPTLIMK1ROCK1

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 5/4885NAMPT 1058/4885LIMK1 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.