SCHEMBL4030405

SCHEMBL4030405

COCCN(C(C)(C)C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3CC3CC3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.63
CDK4 P11802 7/20 0.56
KCNH2 Q12809 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CCND3 P30281 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44

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
SCHEMBL4024205 0.91 CDK2 (0.56) CDK2CDK4KCNH2CDK1
SCHEMBL4020672 0.89 CDK2 (0.54) CDK2CDK4KCNH2CDK1
SCHEMBL4021126 0.88 CDK2 (0.53) CDK2CDK4KCNH2CDK1
SCHEMBL4023449 0.83 CDK2 (0.80) CDK2CDK4CDK1
SCHEMBL5098705 0.79 CDK2 (0.53) CDK2CDK4CDK1
SCHEMBL6600811 0.79 CDK2 (0.50) CDK2CDK4
SCHEMBL27533851 0.79 CDK2 (0.81) CDK2CDK4KCNH2CCNT1CDK1
SCHEMBL6443060 0.78 CDK2 (0.79) CDK2CDK4CDK1
SCHEMBL4024274 0.78 CDK2 (0.62) CDK2CDK4KCNH2CCNT1CDK1
SCHEMBL4026694 0.77 CDK2 (0.64) CDK2CDK4KCNH2CCNT1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1485375-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003076435-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 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 (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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 CDK2 24/4885CDK4 48/4885KCNH2 4329/4885

“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.