SCHEMBL1355201

SCHEMBL1355201

CCC(Nc1nc(NCc2cc(F)ccc2N)c2ncn(C)c2n1)C(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.53
CCNE1 P24864 15/20 0.53
CDK7 P50613 9/20 0.53
CCNH P51946 9/20 0.53
CDK1 P06493 7/20 0.53
CCNB1 P14635 7/20 0.53
CDK4 P11802 6/20 0.53
CCND1 P24385 6/20 0.53
MAPK1 P28482 4/20 0.53
CDK9 P50750 9/20 0.51
CCNT1 O60563 8/20 0.51
CDK5 Q00535 5/20 0.51
CDK5R1 Q15078 5/20 0.51
CCNA2 P20248 3/20 0.47
CCNA1 P78396 3/20 0.47
CACNA1B Q00975 1/20 0.45
CCNE2 O96020 3/20 0.44
CCNT2 O60583 2/20 0.44
KDM4E B2RXH2 1/20 0.40
CCNB2 O95067 1/20 0.40

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
SCHEMBL15117706 0.91 CDK2 (0.61) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1356012 0.91 CCNE1 (0.52) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1354851 0.90 CDK2 (0.54) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1355602 0.90 CDK2 (0.67) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1352379 0.90 CDK2 (0.56) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1354757 0.90 CDK2 (0.53) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1354773 0.90 CDK2 (0.53) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1354712 0.88 CDK2 (0.51) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1352294 0.88 CDK2 (0.50) CDK2CCNE1CDK7CCNHCDK1
SCHEMBL1354817 0.88 CDK2 (0.63) CDK2CCNE1CDK7CCNHCDK1

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 CDK2 3/4885CCNE1 55/4885CDK7 9/4885

“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.