SCHEMBL4348663

SCHEMBL4348663

CN1CCN(c2ccc(Nc3ncc(C(=O)c4ccccc4F)c(N)n3)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.81
CCND1 P24385 7/20 0.81
CDK1 P06493 2/20 0.77
CDK2 P24941 2/20 0.77
FLT3 P36888 1/20 0.61
BTK Q06187 1/20 0.61
SYK P43405 2/20 0.59
STAT6 P42226 2/20 0.58
BRD4 O60885 2/20 0.56
SLC2A1 P11166 1/20 0.55
CCNT1 O60563 2/20 0.54
CDK9 P50750 2/20 0.54
CDK6 Q00534 2/20 0.54
CDK11A Q9UQ88 2/20 0.54
EGFR P00533 2/20 0.54
ALK Q9UM73 2/20 0.52
CSF1R P07333 1/20 0.51
INSR P06213 1/20 0.51

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
SCHEMBL4350723 0.90 CDK4 (0.78) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4346928 0.90 CDK4 (0.66) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4348983 0.89 CDK4 (1.00) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4350588 0.88 CDK4 (1.00) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4355632 0.87 CDK4 (1.00) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4350698 0.84 CDK4 (1.00) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4352343 0.82 CDK4 (0.81) CDK4CCND1CDK1CDK2FLT3
SCHEMBL14633062 0.81 CDK4 (0.57) CDK4CCND1CDK1CDK2FLT3
SCHEMBL4350957 0.80 CDK4 (0.64) CDK4CCND1CDK1CDK2SYK
SCHEMBL4350454 0.79 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.