SCHEMBL6330201

SCHEMBL6330201

Clc1ccc(Nc2ncc(-c3ccccc3)s2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.68
KMT2A Q03164 2/20 0.63
CNR1 P21554 1/20 0.52
ROCK1 Q13464 1/20 0.50
GUSB P08236 1/20 0.50
MEN1 O00255 1/20 0.50
LIMK1 P53667 1/20 0.47

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
SCHEMBL6335500 0.84 KDR (0.74) KDRKMT2ACNR1ROCK1MEN1
SCHEMBL6332623 0.84 KDR (0.79) KDRCNR1ROCK1LIMK1
SCHEMBL6330223 0.82 KDR (0.71) KDRCNR1ROCK1
SCHEMBL3651635 0.81 KDR (1.00) KDRROCK1
SCHEMBL6328402 0.80 KDR (0.68) KDRCNR1LIMK1
SCHEMBL6336657 0.79 KDR (0.63) KDRCNR1
SCHEMBL7483833 0.79 KDR (0.47) KDRKMT2AMEN1
SCHEMBL20380021 0.78 KDR (0.79) KDRROCK1
SCHEMBL6330218 0.78 KDR (0.79) KDRCNR1ROCK1LIMK1
SCHEMBL6328597 0.78 KDR (0.64) KDRKMT2AMEN1

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 5/4885KMT2A 3298/4885CNR1 3794/4885

“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.