SCHEMBL1354993

SCHEMBL1354993

CCC(Nc1nc(NCc2cccc(OC)c2N)c2ncn(C3CCCCC3)c2n1)C(C)(C)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CCNE1 P24864 16/20 0.48
CDK2 P24941 16/20 0.48
CDK1 P06493 10/20 0.48
CDK4 P11802 6/20 0.48
CCNB1 P14635 6/20 0.48
CCND1 P24385 6/20 0.48
CDK7 P50613 6/20 0.48
CCNH P51946 6/20 0.48
MAPK1 P28482 3/20 0.48
CCNT1 O60563 4/20 0.47
CDK9 P50750 4/20 0.47
CCNT2 O60583 2/20 0.47
CCNE2 O96020 2/20 0.47

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
SCHEMBL15118227 0.92 CCNE1 (0.56) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1354879 0.91 TDP1 (0.52) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1355552 0.90 CCNE1 (0.50) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1355061 0.90 TDP1 (0.52) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1355079 0.88 CDK2 (0.60) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1354152 0.88 CCNE1 (0.62) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1352822 0.87 TDP1 (0.51) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1354455 0.87 TDP1 (0.53) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1352427 0.87 TDP1 (0.55) TDP1CCNE1CDK2CDK1CDK4
SCHEMBL1355847 0.87 CCNE1 (0.59) TDP1CCNE1CDK2CDK1CDK4

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 4 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-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 TDP1 273/4885CCNE1 55/4885CDK2 3/4885

“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.