SCHEMBL5889172

SCHEMBL5889172

CN(CC1CCNCC1)c1cc(Nc2ncc(C#N)s2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.55
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 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
SCHEMBL620360 0.80 CHEK1 (0.66) CHEK1CHEK2
SCHEMBL4587556 0.80 KDR (0.59) KDRCHEK1CHEK2
SCHEMBL5889204 0.78 KDR (0.67) KDR
SCHEMBL5050929 0.76 CHEK1 (0.39) KDRCHEK1CHEK2
SCHEMBL4586120 0.74 KDR (0.60) KDRCHEK1CHEK2
SCHEMBL4594326 0.74 KDR (0.60) KDRCHEK1CHEK2
SCHEMBL27734764 0.72 CDK4 (0.40) KDRCHEK1CHEK2
SCHEMBL4594038 0.72 KDR (0.48) KDRCHEK1CHEK2
SCHEMBL6802594 0.71 KDR (1.00) KDRCHEK1
SCHEMBL4585514 0.71 KDR (0.46) KDRCHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO 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 5/4885CHEK1 499/4885CHEK2 406/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885CHEK2 406/4885

“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.