SCHEMBL1355552

SCHEMBL1355552

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 15/20 0.50
CDK2 P24941 15/20 0.50
CDK1 P06493 13/20 0.50
CDK4 P11802 8/20 0.50
CCNB1 P14635 8/20 0.50
CCND1 P24385 8/20 0.50
CDK7 P50613 7/20 0.50
CCNH P51946 7/20 0.50
MAPK1 P28482 3/20 0.50
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
FLT3 P36888 2/20 0.44
CCNB2 O95067 2/20 0.44
CCNE2 O96020 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44

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
SCHEMBL15118254 0.92 CCNE1 (0.50) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1353756 0.91 CCNE1 (0.51) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1354993 0.90 TDP1 (0.51) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1354152 0.90 CCNE1 (0.62) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1353783 0.89 CCNE1 (0.51) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1354326 0.88 CDK2 (0.63) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1353871 0.87 CCNE1 (0.57) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1354602 0.87 FLT3 (0.52) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL1354872 0.87 CDK2 (0.52) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL15118313 0.87 CCNE1 (0.51) CCNE1CDK2CDK1CDK4CCNB1

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 3/4885CDK1 4/4885

“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.