SCHEMBL4680458

SCHEMBL4680458

CCN(CC)CCOc1ccc(Nc2nnc3cc(-c4c(C)c(OC)cc(OC)c4C)c(=O)n(C4CCCC4)c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
CCND2 P30279 4/20 0.55
CCND3 P30281 4/20 0.55
WEE1 P30291 6/20 0.48
SRC P12931 5/20 0.48
RIPK2 O43353 7/20 0.47
NOD2 Q9HC29 7/20 0.47
ACVR1 Q04771 6/20 0.46
FGFR1 P11362 2/20 0.46
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 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
SCHEMBL4681420 0.92 CDK4 (0.54) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4681349 0.91 CDK4 (0.54) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4679760 0.87 CDK4 (0.57) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4678080 0.86 CDK4 (0.53) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4676192 0.86 FGFR1 (0.58) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4682230 0.83 FGFR4 (0.48) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4680156 0.82 PIK3CA (0.42) SRCFGFR1EGFRFGFR2FGFR4
SCHEMBL4677377 0.78 FGFR1 (0.61) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4676705 0.78 FGFR1 (0.55) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4677844 0.75 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 8 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
EP-1195378-B1 Pyridotriazines and pyridopyridazines WARNER LAMBERT CO (US) 2008-01-23 EP disclosed
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.