SCHEMBL4168530

SCHEMBL4168530

CCNc1nc(C)c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOC)cc3)n2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.62
CDK4 P11802 8/20 0.60
CDK9 P50750 8/20 0.58
CDK7 P50613 7/20 0.58
CDK1 P06493 7/20 0.58
AURKA O14965 5/20 0.58
AURKB Q96GD4 5/20 0.58
WEE1 P30291 2/20 0.55
FLT3 P36888 2/20 0.55
ALK Q9UM73 2/20 0.55
CHEK1 O14757 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54

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
SCHEMBL4160121 0.92 CDK2 (0.65) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4167251 0.90 CDK2 (0.63) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4158541 0.90 CDK2 (0.63) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4161781 0.88 CDK2 (0.67) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4163372 0.86 CDK2 (0.65) CDK2CDK4CDK9CDK7CDK1
SCHEMBL27664782 0.86 CDK2 (0.59) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4158693 0.84 CDK2 (0.65) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4154716 0.84 CDK2 (0.67) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4175388 0.83 CDK2 (0.66) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4165994 0.83 CDK2 (0.58) CDK2CDK4CDK9CDK7CDK1

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 2/4885CDK9 34/4885

“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.