SCHEMBL1354863

SCHEMBL1354863

CCn1cnc2c(NCc3cccc(OC)c3N)nc(NCC(C)(C)O)nc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.56
CDK2 P24941 10/20 0.56
CDK5 Q00535 4/20 0.56
CDK5R1 Q15078 4/20 0.56
CCNT1 O60563 4/20 0.56
CDK9 P50750 4/20 0.56
CDK7 P50613 3/20 0.56
CCNH P51946 3/20 0.56
CDK1 P06493 6/20 0.47
CCNT2 O60583 2/20 0.43
CCNE2 O96020 2/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
PRKCA P17252 1/20 0.42

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
SCHEMBL3712915 0.92 CCNE1 (0.51) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354660 0.91 CCNE1 (0.57) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL15117704 0.90 CCNE1 (0.55) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1355505 0.90 CDK2 (0.55) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354070 0.89 CCNE1 (0.57) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1355393 0.89 CDK2 (0.51) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1352301 0.88 CCNE1 (0.58) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1352736 0.88 CCNE1 (0.47) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1355210 0.87 CCNE1 (0.51) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1353769 0.87 CDK2 (0.75) CCNE1CDK2CDK5CDK5R1CCNT1

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 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.