SCHEMBL1354710

SCHEMBL1354710

Cc1ccc(N)c(CNc2nc(NCC(C)O)nc3c2ncn3C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.51
▸ CDK1 P06493 4/20 0.51
▸ CDK9 P50750 5/20 0.47
▸ CCNE1 P24864 8/20 0.47
▸ CDK5 Q00535 4/20 0.47
▸ CDK5R1 Q15078 4/20 0.47
▸ CCNT1 O60563 4/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CCNH P51946 2/20 0.47
▸ CCNE2 O96020 3/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL1354187 0.92 CDK2 (0.51) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354106 0.90 CDK2 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1352419 0.90 CDK2 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1355730 0.90 CDK2 (0.65) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354475 0.90 CDK2 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL15117692 0.89 CDK2 (0.57) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354011 0.89 CDK2 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354734 0.89 CDK2 (0.49) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354756 0.88 CDK2 (0.55) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1352264 0.87 CDK2 (0.61) CDK2CDK1CDK9CCNE1CDK5

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 3 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
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

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 3/4885CDK1 4/4885CDK9 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.

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