SCHEMBL4678080

SCHEMBL4678080

CCN(CC)CCOc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4Cl)c(=O)n(C4CCCC4)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
CCND2 P30279 3/20 0.53
CCND3 P30281 3/20 0.53
RIPK2 O43353 8/20 0.47
NOD2 Q9HC29 8/20 0.47
FGFR1 P11362 6/20 0.46
FGFR4 P22455 4/20 0.46
KDR P35968 4/20 0.46
ACVR1 Q04771 6/20 0.46
WEE1 P30291 3/20 0.44
FGFR2 P21802 2/20 0.44
FGFR3 P22607 2/20 0.44
SRC P12931 2/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL4681349 0.92 CDK4 (0.54) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4681420 0.92 CDK4 (0.54) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4679760 0.89 CDK4 (0.57) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4680305 0.87 FGFR1 (0.56) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4680458 0.86 CDK4 (0.55) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4680419 0.84 FGFR1 (0.51) FGFR1FGFR4KDRFGFR2FGFR3
SCHEMBL4676145 0.83 FGFR1 (0.42) FGFR1FGFR2
SCHEMBL4676705 0.79 FGFR1 (0.55) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4677377 0.78 FGFR1 (0.61) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL4677844 0.76 FGFR1 (0.52) CDK4CCND1CCND2CCND3FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195378-B1 Pyridotriazines and pyridopyridazines WARNER LAMBERT CO (US) 2008-01-23 EP claimed
US-6683183-B2 BICYCLIC HETEROCYCLES THAT INHIBIT CYCLIN-DEPENDENT KINASE OR TYROSINE KINASE ENZYMES, OR BOTH, FOR TREATMENT OF PROLIFERATIVE DISORDERS WARNER-LAMBERT COMPANY 2004-01-27 US claimed
US-20020061865-A1 Pyridotriazines and pyridopyridazines KRAMER JAMES BERNARD (US) 2002-05-23 US claimed
EP-1195378-A1 Pyridotriazines and pyridopyridazines WARNER-LAMBERT COMPANY (US) 2002-04-10 EP claimed
US-6683183-B2 BICYCLIC HETEROCYCLES THAT INHIBIT CYCLIN-DEPENDENT KINASE OR TYROSINE KINASE ENZYMES, OR BOTH, FOR TREATMENT OF PROLIFERATIVE DISORDERS WARNER-LAMBERT COMPANY 2004-01-27 US disclosed
US-20020061865-A1 Pyridotriazines and pyridopyridazines KRAMER JAMES BERNARD (US) 2002-05-23 US disclosed
EP-1195378-A1 Pyridotriazines and pyridopyridazines WARNER-LAMBERT COMPANY (US) 2002-04-10 EP 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-20020061865-A1 Pyridotriazines and pyridopyridazines CDK1, CDK4, CDK2 CDK4 2/4885CCND1 29/4885CCND2 36/4885

“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.