SCHEMBL4352909

SCHEMBL4352909

CCc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 19/20 0.77
CCND1 P24385 19/20 0.77
CDK2 P24941 19/20 0.77
CDK4 P11802 18/20 0.77
CDK6 Q00534 2/20 0.61
CASK O14936 1/20 0.61
ROCK2 O75116 1/20 0.61
CDKL5 O76039 1/20 0.61
STK10 O94804 1/20 0.61
CDK14 O94921 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
MAK P20794 1/20 0.61
CDK11B P21127 1/20 0.61
TTK P33981 1/20 0.61
CLK1 P49759 1/20 0.61
CLK2 P49760 1/20 0.61
CLK3 P49761 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61

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
SCHEMBL4347306 0.89 CDK1 (0.79) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4350459 0.89 CDK1 (0.84) CDK1CCND1CDK2CDK4CDK6
SCHEMBL3517632 0.87 CDK1 (1.00) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4352789 0.87 CDK2 (0.76) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4352663 0.85 CDK2 (0.75) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4354204 0.85 CDK1 (1.00) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4357266 0.85 CDK1 (0.83) CDK1CCND1CDK2CDK4CDK6
SCHEMBL13621492 0.83 CDK2 (0.70) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4363546 0.83 CDK1 (0.86) CDK1CCND1CDK2CDK4CDK6
SCHEMBL4350211 0.83 CDK1 (0.82) CDK1CCND1CDK2CDK4CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 CN claimed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US claimed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US 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
CN-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 CN 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
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US 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 CDK1 6/4885CCND1 32/4885CDK2 4/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 CDK1 6/4885CCND1 31/4885CDK2 3/4885

“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.