SCHEMBL4164813

SCHEMBL4164813

CCNc1nc(C)c(-c2ccnc(NCc3cccnc3)n2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.61
▸ CLK1 P49759 4/20 0.61
▸ CDK4 P11802 5/20 0.58
▸ AURKA O14965 4/20 0.58
▸ CDK9 P50750 4/20 0.58
▸ AURKB Q96GD4 4/20 0.58
▸ CDK7 P50613 3/20 0.58
▸ CDK1 P06493 2/20 0.58
▸ FLT3 P36888 3/20 0.52
▸ WEE1 P30291 2/20 0.52
▸ ALK Q9UM73 2/20 0.52
▸ EIF2AK2 P19525 2/20 0.51
▸ DYRK1A Q13627 4/20 0.49
▸ CLK4 Q9HAZ1 4/20 0.49
▸ CLK2 P49760 3/20 0.49
▸ DYRK1B Q9Y463 3/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ PRKD3 O94806 1/20 0.49

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
SCHEMBL2074539 0.77 CDK2 (0.62) CDK2CDK4AURKACDK9AURKB
SCHEMBL2073975 0.77 CDK2 (0.62) CDK2CDK4AURKACDK9AURKB
SCHEMBL2086808 0.76 CDK2 (1.00) CDK2CLK1AURKACDK9AURKB
SCHEMBL4164808 0.76 CDK2 (0.46) CDK2CLK1CDK4AURKACDK9
SCHEMBL4800409 0.76 CDK2 (0.71) CDK2CDK4AURKACDK9AURKB
SCHEMBL6156585 0.76 CDK2 (0.71) CDK2CDK4AURKACDK9AURKB
SCHEMBL2075365 0.75 CDK2 (0.80) CDK2CDK4AURKACDK9AURKB
SCHEMBL4157501 0.75 CDK2 (0.59) CDK2CDK4AURKACDK9AURKB
SCHEMBL4164522 0.74 CDK2 (0.64) CDK2CDK4AURKACDK9AURKB
SCHEMBL4799527 0.74 CDK2 (0.73) CDK2CDK4AURKACDK9AURKB

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 6 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

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 1/4885CLK1 647/4885CDK4 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.

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