SCHEMBL6797545

SCHEMBL6797545

CC(=O)N1CCN(c2nccc(Nc3ncc(C#N)s3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 1.00
ACHE P22303 4/20 0.51
CHEK1 O14757 1/20 0.46

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
SCHEMBL5889124 0.82 KDR (0.69) KDR
SCHEMBL5889069 0.79 KDR (1.00) KDR
SCHEMBL6180867 0.77 KDR (0.68) KDR
SCHEMBL6178074 0.77 KDR (1.00) KDRCHEK1
SCHEMBL6179460 0.77 KDR (0.67) KDRCHEK1
SCHEMBL20804981 0.74 PANK3 (0.61) KDRACHE
SCHEMBL6180656 0.73 KDR (0.83) KDRCHEK1
SCHEMBL5743045 0.73 KDR (0.75) KDR
SCHEMBL5889092 0.72 KDR (0.72) KDR
SCHEMBL6179215 0.72 KDR (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
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 (2 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 5/4885ACHE 4813/4885CHEK1 499/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885ACHE 4813/4885CHEK1 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.