SCHEMBL1353769

SCHEMBL1353769

COc1cccc(CNc2nc(NCC(C)(C)O)nc3c2ncn3C(C)C)c1N

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.75
CCNE1 P24864 15/20 0.75
CDK5 Q00535 6/20 0.75
CDK5R1 Q15078 6/20 0.75
CCNT1 O60563 6/20 0.75
CDK9 P50750 6/20 0.75
CDK7 P50613 3/20 0.75
CCNH P51946 3/20 0.75
CCNE2 O96020 5/20 0.58
CCNT2 O60583 3/20 0.58
CDK1 P06493 2/20 0.57
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
CCNB2 O95067 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51

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
SCHEMBL1355998 0.92 CDK2 (0.75) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1354559 0.91 CCNE1 (0.62) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL15118025 0.90 CDK2 (0.71) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1352955 0.90 CDK2 (0.60) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1354965 0.89 CCNE1 (0.63) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1354070 0.89 CCNE1 (0.57) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1354891 0.89 CDK2 (0.78) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1354567 0.88 CDK2 (0.65) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1354863 0.87 CCNE1 (0.56) CDK2CCNE1CDK5CDK5R1CCNT1
SCHEMBL1355206 0.87 CCNE1 (0.68) CDK2CCNE1CDK5CDK5R1CCNT1

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
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
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
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
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
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 CDK2 3/4885CCNE1 55/4885CDK5 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.