SCHEMBL3300752

SCHEMBL3300752

CC(O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 1.00
CDK9 P50750 7/20 1.00
CDK1 P06493 16/20 0.80
CDK4 P11802 13/20 0.74
CDK7 P50613 13/20 0.74
MAPK1 P28482 12/20 0.74
CCNE1 P24864 12/20 0.74
CCNH P51946 12/20 0.74
CCNB1 P14635 11/20 0.74
CCND1 P24385 11/20 0.74
CCNT1 O60563 4/20 0.74
CDK5 Q00535 2/20 0.74
MNAT1 P51948 1/20 0.74
CDK6 Q00534 1/20 0.74
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
MAPT P10636 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL3300735 1.00 CDK2 (1.00) CDK2CDK9CDK1CDK4CDK7
SCHEMBL3300432 0.90 CDK2 (1.00) CDK2CDK9CDK1CDK4CDK7
SCHEMBL5072596 0.90 CDK2 (0.81) CDK2CDK9CDK1CDK4CDK7
SCHEMBL5072601 0.90 CDK2 (0.81) CDK2CDK9CDK1CDK4CDK7
SCHEMBL3082573 0.89 CDK1 (1.00) CDK2CDK9CDK1CDK4CDK7
SCHEMBL14396823 0.87 CDK2 (0.81) CDK2CDK9CDK1CDK4CDK7
SCHEMBL14396820 0.87 CDK2 (0.81) CDK2CDK9CDK1CDK4CDK7
SCHEMBL14396818 0.87 CDK2 (0.81) CDK2CDK9CDK1CDK4CDK7
SCHEMBL1378920 0.85 CDK2 (1.00) CDK2CDK9CDK1CDK4CDK7
SCHEMBL29829223 0.85 CDK2 (1.00) CDK2CDK9CDK1CDK4CDK7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 CDK2 1751/4885CDK9 57/4885CDK1 512/4885

“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.