SCHEMBL4166333

SCHEMBL4166333

Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCSCC4)cc3)n2)s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.80
AURKA O14965 11/20 0.80
CDK4 P11802 11/20 0.80
AURKB Q96GD4 10/20 0.80
CCNE1 P24864 4/20 0.80
CDK9 P50750 10/20 0.73
CDK1 P06493 6/20 0.73
CDK7 P50613 6/20 0.73
WEE1 P30291 3/20 0.66
FLT3 P36888 3/20 0.66
CHEK1 O14757 2/20 0.66
DAPK3 O43293 2/20 0.66
JAK2 O60674 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
RET P07949 2/20 0.66
MET P08581 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
SCHEMBL4165439 0.91 CDK2 (0.84) CDK2AURKACDK4AURKBCCNE1
SCHEMBL4163444 0.90 CDK2 (0.82) CDK2AURKACDK4AURKBCCNE1
SCHEMBL4172272 0.89 CDK2 (0.81) CDK2AURKACDK4AURKBCCNE1
SCHEMBL2073867 0.89 CDK2 (1.00) CDK2AURKACDK4AURKBCCNE1
SCHEMBL2075987 0.89 CDK2 (1.00) CDK2AURKACDK4AURKBCCNE1
SCHEMBL2074623 0.89 CDK2 (0.81) CDK2AURKACDK4AURKBCCNE1
SCHEMBL4158736 0.86 CDK2 (0.82) CDK2AURKACDK4AURKBCCNE1
SCHEMBL2073428 0.85 CDK2 (1.00) CDK2AURKACDK4AURKBCCNE1
SCHEMBL2076216 0.85 CDK2 (1.00) CDK2AURKACDK4AURKBCCNE1
SCHEMBL27664900 0.85 CDK2 (0.85) CDK2AURKACDK4AURKBCCNE1

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 1/4885AURKA 271/4885CDK4 2/4885

“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.