SCHEMBL1355015

SCHEMBL1355015

CC(CNc1nc(NCc2cc(I)ccc2N)c2ncn(C)c2n1)C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 6/20 0.49
▸ CDK2 P24941 6/20 0.49
▸ CDK5 Q00535 5/20 0.49
▸ CDK5R1 Q15078 5/20 0.49
▸ CCNT1 O60563 3/20 0.49
▸ CDK9 P50750 3/20 0.49
▸ CDK7 P50613 3/20 0.49
▸ CCNH P51946 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL1354706 0.90 CDK2 (0.62) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL15118171 0.90 CCNE1 (0.52) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354011 0.90 CDK2 (0.50) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354848 0.90 CDK2 (0.48) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354498 0.90 CCNE1 (0.53) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354079 0.90 CCNE1 (0.49) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1354475 0.89 CDK2 (0.50) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1355365 0.89 CDK2 (0.53) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1352724 0.88 CCNE1 (0.51) CCNE1CDK2CDK5CDK5R1CCNT1
SCHEMBL1352703 0.87 CCNE1 (0.59) 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.

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