SCHEMBL4164569

SCHEMBL4164569

Cc1nc(N)sc1-c1ccnc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.63
CDK9 P50750 11/20 0.63
CCNT1 O60563 9/20 0.63
CDK1 P06493 9/20 0.63
CDK4 P11802 8/20 0.63
AURKA O14965 5/20 0.63
AURKB Q96GD4 5/20 0.63
CCNE1 P24864 4/20 0.63
ABL1 P00519 2/20 0.63
GSK3B P49841 2/20 0.63
CDK5 Q00535 2/20 0.63
RIPK2 O43353 2/20 0.63
CDC7 O00311 1/20 0.63
PLK4 O00444 1/20 0.63
CIT O14578 1/20 0.63
CHEK1 O14757 1/20 0.63
GAK O14976 1/20 0.63
EPHB6 O15197 1/20 0.63
PDPK1 O15530 1/20 0.63
DAPK3 O43293 1/20 0.63

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
SCHEMBL4173601 0.86 CDK2 (0.80) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL2086282 0.84 CDK2 (0.56) CDK2CDK9CCNT1CDK1AURKA
SCHEMBL2074496 0.83 CDK2 (0.67) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL4377112 0.82 CDK1 (0.61) CDK2CDK1JAK2MAPK8MAPK9
SCHEMBL4168106 0.82 CDK2 (0.69) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL3458402 0.81 JAK2 (0.56) CDK2CDK9CCNT1CDK1CCNE1
SCHEMBL12423192 0.80 CDK2 (0.53) CDK2CDK9CCNT1CDK1CCNE1
SCHEMBL4160812 0.79 CDK2 (0.64) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL4173598 0.79 CDK2 (0.62) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL4170730 0.78 CDK2 (0.61) CDK2CDK9CCNT1CDK1CDK4

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 8 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
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-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.