SCHEMBL7686910

SCHEMBL7686910

N#Cc1cnc(Nc2cc(N3CCCNCC3)ncn2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
HRH4 Q9H3N8 1/20 0.46
CHEK1 O14757 3/20 0.45
CDK7 P50613 2/20 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
SCHEMBL6802594 0.97 KDR (1.00) KDRHRH4CHEK1CDK7
SCHEMBL5889166 0.91 KDR (0.83) KDRCHEK1
SCHEMBL5889168 0.90 KDR (0.81) KDRCHEK1
SCHEMBL5889029 0.83 KDR (0.84) KDRCHEK1
SCHEMBL5889043 0.83 KDR (1.00) KDRHRH4
SCHEMBL5889039 0.82 KDR (1.00) KDRCHEK1
SCHEMBL6808204 0.81 KDR (1.00) KDR
SCHEMBL6802538 0.81 KDR (0.76) KDR
SCHEMBL5889186 0.81 KDR (1.00) KDRCHEK1
SCHEMBL7691786 0.81 KDR (0.76) KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885HRH4 4015/4885CHEK1 499/4885

“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.