SCHEMBL3295957

SCHEMBL3295957

CC[C@H](Nc1nc(N(C)c2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.64
▸ CDK9 P50750 14/20 0.64
▸ CDK1 P06493 10/20 0.56
▸ CDK4 P11802 10/20 0.56
▸ CDK7 P50613 10/20 0.56
▸ CCNE1 P24864 9/20 0.56
▸ CCNB1 P14635 8/20 0.56
▸ CCNH P51946 8/20 0.56
▸ CCNT1 O60563 4/20 0.56
▸ CDK5 Q00535 3/20 0.56
▸ CCNT2 O60583 1/20 0.56
▸ CCNB2 O95067 1/20 0.56
▸ CCNE2 O96020 1/20 0.56
▸ CCNB3 Q8WWL7 1/20 0.56
▸ CASK O14936 1/20 0.56
▸ CCNA2 P20248 1/20 0.56
▸ GSK3A P49840 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56
▸ MAPK15 Q8TD08 1/20 0.56
▸ CAMKK2 Q96RR4 1/20 0.56

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
SCHEMBL3298930 0.88 CDK2 (0.66) CDK2CDK9CDK1CDK4CDK7
SCHEMBL3301221 0.85 CDK2 (0.66) CDK2CDK9CDK1CDK4CDK7
SCHEMBL3303030 0.83 CDK2 (0.65) CDK2CDK9CDK1CDK4CDK7
SCHEMBL3295952 0.78 CDK2 (1.00) CDK2CDK9CDK1CDK4CDK7
SCHEMBL3296793 0.78 CDK2 (0.67) CDK2CDK9CDK1CDK4CDK7
SCHEMBL23993161 0.74 CDK1 (0.65) CDK2CDK9CDK1CDK4CDK7
SCHEMBL19112171 0.74 NPSR1 (0.60) CDK2CDK9CDK1CDK4CDK7
SCHEMBL19112453 0.74 NPSR1 (0.60) CDK2CDK9CDK1CDK4CDK7
SCHEMBL19112169 0.73 NPSR1 (0.70) CDK2CDK9CDK1CDK4CDK7
SCHEMBL19112172 0.73 NPSR1 (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 — — EP claimed
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
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 — — EP disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 — — 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-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.

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