SCHEMBL4355632

SCHEMBL4355632

COc1ccccc1C(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 1.00
CCND1 P24385 9/20 1.00
CDK1 P06493 7/20 1.00
CDK2 P24941 6/20 1.00
LCK P06239 1/20 0.62
KDR P35968 1/20 0.62
MAPK14 Q16539 1/20 0.62
ALK Q9UM73 1/20 0.58
BRD4 O60885 3/20 0.56
MAP3K7 O43318 1/20 0.56
MAPK1 P28482 1/20 0.56
MAP2K1 Q02750 1/20 0.56
SYK P43405 1/20 0.55
STAT6 P42226 1/20 0.54
FGFR4 P22455 1/20 0.54
FLT3 P36888 1/20 0.53
BTK Q06187 1/20 0.53

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
SCHEMBL4351767 0.90 CDK4 (0.82) CDK4CCND1CDK1CDK2LCK
SCHEMBL4352343 0.89 CDK4 (0.81) CDK4CCND1CDK1CDK2LCK
SCHEMBL4348983 0.88 CDK4 (1.00) CDK4CCND1CDK1CDK2LCK
SCHEMBL4348663 0.87 CDK4 (0.81) CDK4CCND1CDK1CDK2ALK
SCHEMBL4350588 0.84 CDK4 (1.00) CDK4CCND1CDK1CDK2LCK
SCHEMBL27688672 0.83 CDK4 (0.78) CDK4CCND1CDK1CDK2LCK
SCHEMBL4350723 0.81 CDK4 (0.78) CDK4CCND1CDK1CDK2LCK
SCHEMBL4348687 0.80 CDK4 (0.67) CDK4CCND1CDK1CDK2LCK
SCHEMBL4350698 0.79 CDK4 (1.00) CDK4CCND1CDK1CDK2MAPK14
SCHEMBL4350454 0.78 CDK4 (0.81) CDK4CCND1CDK1CDK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US claimed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP claimed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US claimed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 US disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 CDK4 1/4885CCND1 32/4885CDK1 6/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 CDK4 1/4885CCND1 31/4885CDK1 6/4885

“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.