SCHEMBL4164522

SCHEMBL4164522

CCNc1nc(C)c(-c2ccnc(Nc3cccc(Br)c3)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.64
CDK9 P50750 9/20 0.64
CDK7 P50613 7/20 0.64
CDK1 P06493 6/20 0.64
AURKA O14965 5/20 0.64
AURKB Q96GD4 5/20 0.64
CDK4 P11802 13/20 0.60
WEE1 P30291 2/20 0.58
FLT3 P36888 2/20 0.58
ALK Q9UM73 2/20 0.58
CCNA2 P20248 6/20 0.56
CCNT1 O60563 5/20 0.56
CCNB1 P14635 4/20 0.56
CCNH P51946 4/20 0.56
CCNA1 P78396 3/20 0.56
ABL1 P00519 2/20 0.54
GSK3B P49841 2/20 0.54
CDK5 Q00535 2/20 0.54
CHEK1 O14757 1/20 0.54
DAPK3 O43293 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
SCHEMBL6156866 0.88 CDK2 (0.77) CDK2CDK9CDK7CDK1AURKA
SCHEMBL4799527 0.88 CDK2 (0.73) CDK2CDK9CDK7CDK1AURKA
SCHEMBL6362971 0.88 CDK2 (0.79) CDK2CDK9CDK7CDK1AURKA
SCHEMBL2074539 0.86 CDK2 (0.62) CDK2CDK9CDK7CDK1AURKA
SCHEMBL4803155 0.86 CDK2 (0.71) CDK2CDK9CDK7CDK1AURKA
SCHEMBL14073711 0.86 CDK2 (0.62) CDK2CDK9CDK7CDK1AURKA
SCHEMBL2073975 0.86 CDK2 (0.62) CDK2CDK9CDK7CDK1AURKA
SCHEMBL6158722 0.85 CDK2 (0.75) CDK2CDK9CDK7CDK1AURKA
SCHEMBL4163369 0.84 CDK2 (0.67) CDK2CDK9CDK7CDK1AURKA
SCHEMBL4795797 0.83 CDK2 (0.81) CDK2CDK9CDK7CDK1AURKA

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 1/4885CDK9 34/4885CDK7 26/4885

“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.