SCHEMBL5889115

SCHEMBL5889115

Cc1c(Nc2ncc(C#N)s2)ncnc1N1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.65
AURKA O14965 2/20 0.43
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL5889233 0.80 KDR (0.47) KDR
SCHEMBL5889097 0.79 KDR (1.00) KDR
SCHEMBL5889110 0.77 KDR (0.74) KDR
SCHEMBL6803140 0.77 KDR (1.00) KDR
SCHEMBL4594054 0.71 KDR (0.74) KDR
SCHEMBL4592543 0.71 KDR (0.60) KDR
SCHEMBL5889027 0.70 KDR (0.47) KDR
SCHEMBL6808204 0.70 KDR (1.00) KDR
SCHEMBL4592923 0.70 KDR (0.50) KDR
SCHEMBL4587539 0.69 KIT (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 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 5/4885AURKA 918/4885MEN1 4406/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885AURKA 918/4885MEN1 4406/4885

“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.