SCHEMBL1352477

SCHEMBL1352477

CC(C)n1cnc2c(NCc3cccc(Cl)c3N)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.71
▸ CDK2 P24941 19/20 0.71
▸ CCNE2 O96020 18/20 0.71
▸ CCNA2 P20248 16/20 0.71
▸ CCNA1 P78396 16/20 0.71
▸ CCNT1 O60563 3/20 0.71
▸ CDK9 P50750 3/20 0.71
▸ CCNT2 O60583 2/20 0.71
▸ CDK7 P50613 1/20 0.71
▸ CCNH P51946 1/20 0.71
▸ CDK5 Q00535 1/20 0.71
▸ CDK5R1 Q15078 1/20 0.71
▸ CDK1 P06493 1/20 0.64

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
SCHEMBL15117558 0.92 CCNE1 (0.79) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL15117594 0.85 CCNE1 (0.81) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6824049 0.84 CCNE1 (0.83) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6821075 0.84 CCNE1 (0.82) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6821203 0.84 CCNE2 (0.90) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6821200 0.84 CCNE2 (0.90) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6945969 0.83 CCNE1 (0.82) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL15117729 0.83 CCNE1 (1.00) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL15117755 0.83 CCNE1 (0.68) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6945971 0.83 CCNE1 (0.82) CCNE1CDK2CCNE2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391626-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2011-12-07 — — EP claimed
WO-2010085924-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-08-05 — — WO claimed
US-9023857-B2 Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-05-05 — — US disclosed
US-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-24 — — 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-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS CDK6, CCNI, CDK2 CCNE1 55/4885CDK2 3/4885CCNE2 74/4885

“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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