SCHEMBL4158345

SCHEMBL4158345

Cc1nc(N)sc1-c1ccnc(Nc2ccc(S(=O)(=O)NCCO)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.66
CDK4 P11802 10/20 0.66
IKBKB O14920 5/20 0.66
PLK1 P53350 3/20 0.66
CCNE1 P24864 3/20 0.60
CDK9 P50750 6/20 0.55
AURKA O14965 5/20 0.55
CDK7 P50613 5/20 0.55
AURKB Q96GD4 4/20 0.55
CDK1 P06493 5/20 0.55
GSK3B P49841 3/20 0.55
CCNT1 O60563 3/20 0.55
ABL1 P00519 3/20 0.55
CDK5 Q00535 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
CIT O14578 1/20 0.55
CHEK1 O14757 1/20 0.55
GAK O14976 1/20 0.55
EPHB6 O15197 1/20 0.55

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
SCHEMBL4159897 0.90 CDK2 (0.64) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL4163372 0.90 CDK2 (0.65) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL4170730 0.89 CDK2 (0.61) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL4157053 0.88 CDK2 (0.67) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL4167251 0.86 CDK2 (0.63) CDK2CDK4IKBKBPLK1CDK9
SCHEMBL4157071 0.86 CDK2 (0.59) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL6367646 0.86 CDK2 (0.73) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL2074426 0.84 CDK2 (0.71) CDK2CDK4IKBKBPLK1CCNE1
SCHEMBL2085989 0.82 IKBKB (0.60) CDK2CDK4IKBKBCDK9CDK7
SCHEMBL1803663 0.81 CDK2 (0.73) CDK2CDK4PLK1CCNE1CDK9

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 1/4885CDK4 2/4885IKBKB 842/4885

“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.