SCHEMBL1355320

SCHEMBL1355320

CC(C)n1cnc2c(NCc3cccc(Cl)c3N)nc(NC(C)C(C)(C)O)nc21

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.70
CCNE1 P24864 16/20 0.70
CDK7 P50613 9/20 0.66
CCNH P51946 9/20 0.66
CDK5 Q00535 8/20 0.66
CDK9 P50750 8/20 0.66
CCNT1 O60563 7/20 0.66
CDK5R1 Q15078 6/20 0.66
CDK1 P06493 10/20 0.56
CCNB1 P14635 8/20 0.56
CDK4 P11802 6/20 0.56
CCND1 P24385 6/20 0.56
MAPK1 P28482 3/20 0.56
CCNB2 O95067 2/20 0.54
CCNB3 Q8WWL7 2/20 0.54
CACNA1B Q00975 1/20 0.54
CCNT2 O60583 1/20 0.53
CCNE2 O96020 1/20 0.53

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
SCHEMBL15118197 0.91 CDK2 (0.72) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1353870 0.91 CDK2 (0.64) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354277 0.91 CDK2 (0.71) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354546 0.90 CDK2 (0.56) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354965 0.89 CCNE1 (0.63) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354200 0.89 CDK2 (0.63) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354698 0.89 CDK2 (0.55) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354891 0.88 CDK2 (0.78) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1354352 0.88 CDK2 (0.83) CDK2CCNE1CDK7CCNHCDK5
SCHEMBL1353868 0.87 CDK2 (0.79) CDK2CCNE1CDK7CCNHCDK5

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 10 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
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 55/4885CDK7 9/4885

“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.