SCHEMBL1355218

SCHEMBL1355218

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.50
▸ CCNE1 P24864 11/20 0.50
▸ CCNE2 O96020 6/20 0.50
▸ CDK5 Q00535 4/20 0.49
▸ CDK5R1 Q15078 4/20 0.49
▸ CDK7 P50613 3/20 0.49
▸ CCNH P51946 3/20 0.49
▸ CCNT1 O60563 2/20 0.49
▸ CDK9 P50750 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.44
▸ CCNA2 P20248 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CACNA1B Q00975 1/20 0.41

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
SCHEMBL1354933 0.91 CDK2 (0.52) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354721 0.91 CCNE1 (0.61) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL15118056 0.90 CDK2 (0.53) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354882 0.90 CCNE1 (0.47) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354758 0.89 CCNE1 (0.57) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354586 0.89 CDK2 (0.51) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354712 0.88 CDK2 (0.51) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354312 0.88 CDK2 (0.50) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1352294 0.88 CDK2 (0.50) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL1354742 0.88 CDK2 (0.56) CDK2CCNE1CCNE2CDK5CDK5R1

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 5 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 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 CDK2 3/4885CCNE1 55/4885CCNE2 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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