SCHEMBL4159788

SCHEMBL4159788

Cc1nc(N(C)c2ccc(Cl)cc2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.68
CDK4 P11802 9/20 0.68
AURKA O14965 9/20 0.68
AURKB Q96GD4 9/20 0.68
CDK9 P50750 10/20 0.66
CDK1 P06493 4/20 0.66
CCNE1 P24864 4/20 0.66
JAK2 O60674 4/20 0.66
CCNT1 O60563 3/20 0.66
CDK6 Q00534 3/20 0.66
PLK4 O00444 3/20 0.66
WEE1 P30291 3/20 0.66
FLT3 P36888 3/20 0.66
CHEK1 O14757 2/20 0.66
DAPK3 O43293 2/20 0.66
PRKD3 O94806 2/20 0.66
PAK4 O96013 2/20 0.66
ABL1 P00519 2/20 0.66
FYN P06241 2/20 0.66
CSF1R P07333 2/20 0.66

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
SCHEMBL4175394 0.92 CDK2 (0.67) CDK2CDK4AURKAAURKBCDK9
SCHEMBL4161877 0.87 CDK2 (0.67) CDK2CDK4AURKAAURKBCDK9
SCHEMBL4161825 0.84 CDK2 (0.72) CDK2CDK4AURKAAURKBCDK9
SCHEMBL4164435 0.83 CDK2 (0.54) CDK2CDK4AURKAAURKBCDK9
SCHEMBL2073867 0.81 CDK2 (1.00) CDK2CDK4AURKAAURKBCDK9
SCHEMBL2076109 0.81 CDK2 (0.84) CDK2CDK4AURKAAURKBCDK9
SCHEMBL2076215 0.80 CDK2 (0.68) CDK2CDK4AURKAAURKBCDK9
Cyc-116 SCHEMBL29366353 0.80 CDK2 (1.00) CDK2CDK4AURKAAURKBCDK9
Cyc-116 SCHEMBL2074998 0.80 CDK2 (1.00) CDK2CDK4AURKAAURKBCDK9
SCHEMBL4798825 0.79 CDK2 (0.74) CDK2CDK4AURKAAURKBCDK9

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 2/4885AURKA 271/4885

“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.