SCHEMBL4157053

SCHEMBL4157053

CNc1nc(C)c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCO)cc3)n2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.67
CDK4 P11802 9/20 0.67
CCNA2 P20248 7/20 0.67
PLK1 P53350 2/20 0.67
IKBKB O14920 3/20 0.61
CDK9 P50750 12/20 0.60
CDK1 P06493 10/20 0.60
CDK7 P50613 10/20 0.60
CCNT1 O60563 6/20 0.60
CCNB1 P14635 5/20 0.60
CCNH P51946 5/20 0.60
CCNA1 P78396 4/20 0.60
AURKA O14965 6/20 0.57
AURKB Q96GD4 6/20 0.57
WEE1 P30291 2/20 0.57
ALK Q9UM73 2/20 0.57
CHEK1 O14757 1/20 0.55
DAPK3 O43293 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 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
SCHEMBL4167251 0.92 CDK2 (0.63) CDK2CDK4CCNA2PLK1IKBKB
SCHEMBL4159897 0.90 CDK2 (0.64) CDK2CDK4CCNA2PLK1IKBKB
SCHEMBL4160121 0.90 CDK2 (0.65) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4163557 0.89 CDK2 (0.75) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4158345 0.88 CDK2 (0.66) CDK2CDK4CCNA2PLK1IKBKB
SCHEMBL27664827 0.88 GSK3B (0.59) CDK2CDK4CCNA2PLK1IKBKB
SCHEMBL4160005 0.86 CDK2 (0.61) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4165980 0.86 CDK2 (0.72) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4154423 0.85 CDK2 (0.78) CDK2CDK4CCNA2PLK1IKBKB
SCHEMBL4164413 0.83 IKBKB (0.57) CDK2CDK4CCNA2PLK1IKBKB

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 10 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
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN 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
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN 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 2/4885CCNA2 25/4885

“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.