SCHEMBL1355280

SCHEMBL1355280

CCC(CO)Nc1nc(NCc2cc(C)ccc2N)c2ncn(C(C)C)c2n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.82
CCNE1 P24864 14/20 0.82
CDK9 P50750 7/20 0.82
CCNT1 O60563 5/20 0.82
CCNE2 O96020 3/20 0.82
CCNT2 O60583 1/20 0.82
CDK1 P06493 9/20 0.69
CCNB1 P14635 7/20 0.69
CDK5 Q00535 6/20 0.69
CDK5R1 Q15078 4/20 0.69
CCNB2 O95067 4/20 0.69
CCNB3 Q8WWL7 4/20 0.69
CACNA1B Q00975 3/20 0.69
CDK7 P50613 6/20 0.67
CDK4 P11802 4/20 0.67
CCND1 P24385 4/20 0.67
MAPK1 P28482 4/20 0.67
CCNH P51946 4/20 0.67
CCNK O75909 4/20 0.67
CDK12 Q9NYV4 4/20 0.67

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
SCHEMBL1354995 0.90 CDK2 (0.69) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1353962 0.90 CDK2 (0.82) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL15118130 0.90 CDK2 (1.00) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1355691 0.89 CDK2 (0.66) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1354766 0.89 CDK1 (0.69) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1354858 0.89 CDK2 (0.65) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1352423 0.88 CDK2 (0.81) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1354155 0.88 CDK2 (0.70) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1354147 0.86 CCNE1 (0.68) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1355039 0.85 CDK2 (0.67) CDK2CCNE1CDK9CCNT1CCNE2

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 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

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 55/4885CDK9 12/4885

“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.