SCHEMBL4824463

SCHEMBL4824463

CCn1c(C)nc(C)c1-c1ccnc(Nc2ccc(S(=O)(=O)NC)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.58
CDK4 P11802 6/20 0.54
IKBKB O14920 3/20 0.45
CCNT1 O60563 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CDK9 P50750 3/20 0.45
GSK3B P49841 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
CCNA1 P78396 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CCND3 P30281 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45

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
SCHEMBL4824472 0.88 CDK2 (0.63) CDK2CDK4IKBKBCCNT1CDK1
SCHEMBL6596039 0.86 CDK2 (0.72) CDK2CDK4IKBKBCCNT1CDK1
SCHEMBL4820462 0.86 CDK2 (0.80) CDK2CDK4IKBKBCDK1
SCHEMBL6599765 0.85 CDK2 (0.57) CDK2CDK4IKBKBCCNT1CDK1
SCHEMBL4817291 0.85 CDK2 (0.68) CDK2CDK4IKBKBCDK1
SCHEMBL4817051 0.84 CDK2 (0.72) CDK2CDK4IKBKBCDK1
SCHEMBL6593352 0.83 CDK2 (0.81) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL4826639 0.83 CDK2 (0.57) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL4819158 0.82 CDK2 (0.60) CDK2CDK4IKBKBCDK1CCNB1
Dimethylamine SCHEMBL6593494 0.78 CDK2 (0.78) CDK2CDK4IKBKBCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446105-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-11-04 US claimed
US-20050119291-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-06-02 US claimed
EP-1485374-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP claimed
WO-2003076433-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 WO claimed

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-20050119291-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 CDK2 22/4885CDK4 47/4885IKBKB 1290/4885

“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.