SCHEMBL1354721

SCHEMBL1354721

COc1ccc(N)c(CNc2nc(NC(C)CC(C)(C)O)nc3c2ncn3C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 11/20 0.61
▸ CDK2 P24941 11/20 0.61
▸ CDK5 Q00535 10/20 0.61
▸ CDK5R1 Q15078 8/20 0.61
▸ CDK7 P50613 3/20 0.61
▸ CCNH P51946 3/20 0.61
▸ CCNT1 O60563 2/20 0.61
▸ CDK9 P50750 2/20 0.61
▸ CCNE2 O96020 5/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ CDK1 P06493 3/20 0.54

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
SCHEMBL1355695 0.92 CCNE1 (0.64) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1354696 0.91 CCNE1 (0.75) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL15118061 0.91 CDK2 (0.65) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1355218 0.91 CDK2 (0.50) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1355966 0.89 CCNE1 (0.65) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1354882 0.89 CCNE1 (0.47) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1354943 0.89 CDK2 (0.75) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1355761 0.89 CDK2 (0.64) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1354702 0.88 CDK2 (0.69) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL1354939 0.88 CDK2 (0.63) CCNE1CDK2CDK5CDK5R1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2391626-B1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-10-01 — — EP claimed
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 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
EP-2391626-B1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-10-01 — — EP disclosed
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 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
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 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 3/4885CDK5 18/4885

“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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