SCHEMBL1355730

SCHEMBL1355730

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.65
▸ CDK1 P06493 7/20 0.65
▸ CDK9 P50750 7/20 0.60
▸ CCNE1 P24864 10/20 0.59
▸ CDK5 Q00535 7/20 0.59
▸ CCNT1 O60563 5/20 0.59
▸ CDK5R1 Q15078 4/20 0.59
▸ CDK7 P50613 4/20 0.59
▸ CCNH P51946 3/20 0.59
▸ CCNE2 O96020 5/20 0.58
▸ CCNT2 O60583 2/20 0.58
▸ FLT3 P36888 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CDK4 P11802 2/20 0.52
▸ CDK3 Q00526 1/20 0.52
▸ CCNA2 P20248 1/20 0.52
▸ CCNA1 P78396 1/20 0.52

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
SCHEMBL1355093 0.93 CDK2 (0.65) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354908 0.90 CDK2 (0.64) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1353724 0.90 CDK2 (0.64) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354952 0.90 CDK2 (0.64) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354710 0.90 CDK2 (0.51) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL786561 0.90 CDK2 (0.71) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL786562 0.90 CDK2 (0.71) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1355659 0.89 CDK2 (0.63) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354639 0.88 CDK2 (0.63) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354734 0.88 CDK2 (0.49) 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 8 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
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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