SCHEMBL1355296

SCHEMBL1355296

COc1cccc(CNc2nc(NC(CO)C(C)C)nc3c2ncn3C)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 6/20 0.57
▸ CCNB2 O95067 5/20 0.57
▸ CCNB1 P14635 5/20 0.57
▸ CCNB3 Q8WWL7 5/20 0.57
▸ CDK2 P24941 15/20 0.54
▸ CCNE1 P24864 10/20 0.54
▸ CCNA2 P20248 4/20 0.49
▸ CCNA1 P78396 4/20 0.49
▸ CDK5 Q00535 5/20 0.48
▸ CDK5R1 Q15078 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CCNE2 O96020 4/20 0.46
▸ CCNT1 O60563 4/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CCNT2 O60583 2/20 0.46
▸ DYRK1A Q13627 1/20 0.45
▸ CDK7 P50613 1/20 0.45

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
SCHEMBL1354114 0.91 CDK1 (0.71) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL15117601 0.90 CDK2 (0.66) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354202 0.90 CDK1 (0.56) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354869 0.89 CDK2 (0.55) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354072 0.89 CDK1 (0.60) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354554 0.88 CDK2 (0.67) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354803 0.87 CDK1 (0.55) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1355794 0.86 CDK2 (0.50) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354124 0.86 CDK2 (0.51) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354713 0.86 TDP1 (0.52) CDK1CCNB2CCNB1CCNB3CDK2

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 CDK1 4/4885CCNB2 31/4885CCNB1 24/4885

“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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