SCHEMBL4159982

SCHEMBL4159982

CNc1nc(C)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 1.00
CDK9 P50750 17/20 1.00
CCNT1 O60563 13/20 1.00
CCNA2 P20248 12/20 1.00
CDK1 P06493 9/20 1.00
CDK7 P50613 8/20 1.00
CCNB1 P14635 6/20 1.00
CCNH P51946 6/20 1.00
CCNA1 P78396 4/20 0.71
CDK4 P11802 8/20 0.66
AURKA O14965 6/20 0.66
AURKB Q96GD4 6/20 0.66
WEE1 P30291 3/20 0.56
ALK Q9UM73 2/20 0.56
CHEK1 O14757 2/20 0.56
DAPK3 O43293 2/20 0.56
JAK2 O60674 2/20 0.56
PRKD3 O94806 2/20 0.56
PAK4 O96013 2/20 0.56
ABL1 P00519 2/20 0.56

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
SCHEMBL4164795 0.91 CDK2 (0.83) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL4162480 0.91 CDK2 (0.82) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL4173601 0.89 CDK2 (0.80) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL2086244 0.84 CDK2 (0.73) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL1592690 0.83 CCNT1 (1.00) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL2075969 0.80 CDK2 (1.00) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL4167943 0.76 CDK2 (0.69) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL27664612 0.76 CCNT1 (0.60) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL28505681 0.75 CDK2 (0.60) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL4164569 0.75 CDK2 (0.63) CDK2CDK9CCNT1CCNA2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US claimed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP claimed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO claimed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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 (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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 CDK2 1/4885CDK9 34/4885CCNT1 107/4885

“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.