SCHEMBL4174918

SCHEMBL4174918

Cc1nc(C)c(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.66
BCR P11274 2/20 0.66
CDK2 P24941 17/20 0.62
CDK4 P11802 12/20 0.62
AURKA O14965 5/20 0.62
AURKB Q96GD4 5/20 0.62
CCNE1 P24864 2/20 0.55
CDK9 P50750 6/20 0.53
CDK1 P06493 5/20 0.53
CCNT1 O60563 3/20 0.53
CCNB1 P14635 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK7 P50613 2/20 0.53
CCNH P51946 1/20 0.53
CCNB2 O95067 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
JAK2 O60674 2/20 0.51
JAK3 P52333 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51

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
SCHEMBL4162420 0.91 CDK2 (0.64) ABL1BCRCDK2CDK4AURKA
SCHEMBL2074499 0.89 CDK2 (0.57) ABL1BCRCDK2CDK4AURKA
SCHEMBL4156961 0.82 CDK2 (0.80) ABL1BCRCDK2CDK4AURKA
SCHEMBL4166368 0.81 CDK2 (0.74) ABL1BCRCDK2CDK4AURKA
SCHEMBL1806918 0.80 CDK2 (0.74) CDK2CDK4AURKAAURKBCCNE1
SCHEMBL4169340 0.80 CDK2 (0.74) ABL1CDK2CDK4AURKAAURKB
SCHEMBL14100235 0.79 ABL1 (0.67) ABL1BCRCDK2CDK9CDK1
SCHEMBL4158463 0.79 CDK2 (0.65) ABL1BCRCDK2CDK4AURKA
SCHEMBL4158569 0.77 CDK2 (0.62) ABL1BCRCDK2CDK4AURKA
SCHEMBL2073867 0.77 CDK2 (1.00) ABL1BCRCDK2CDK4AURKA

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 1 patent. 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 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 ABL1 59/4885BCR 1047/4885CDK2 1/4885

“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.