SCHEMBL785804

SCHEMBL785804

COc1cccc(CNc2nc(Cl)nc3c2ncn3C(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.69
CCNE1 P24864 8/20 0.69
CCNT1 O60563 3/20 0.66
CDK9 P50750 3/20 0.66
CCNT2 O60583 2/20 0.66
CCNE2 O96020 2/20 0.66
CDK1 P06493 8/20 0.63
CCNB2 O95067 4/20 0.53
CCNB1 P14635 4/20 0.53
CCNB3 Q8WWL7 4/20 0.53
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
ADORA2A P29274 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PTBP1 P26599 1/20 0.49

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
SCHEMBL3718935 0.90 CDK1 (0.77) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL1444366 0.89 CDK2 (0.68) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL786909 0.87 CCNE1 (0.61) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL786378 0.85 YTHDC1 (0.57) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL786358 0.85 CDK2 (0.73) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL786359 0.85 CDK2 (0.73) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL786808 0.85 CDK2 (0.73) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL15117980 0.84 CDK2 (0.72) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL15118025 0.83 CDK2 (0.71) CDK2CCNE1CCNT1CDK9CCNT2
SCHEMBL15118100 0.83 CCNE1 (0.75) CDK2CCNE1CCNT1CDK9CCNT2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
EP-2475673-A1 CYCLOBUTAN-1,1 -DICARBOXYLATO COMPLEXES OF PLATINUM WITH N6-BENZYLADENINE DERIVATIVES, METHOD OF THEIR PREPARATION AND APPLICATION OF THESE COMPLEXES AS DRUGS IN ANTITUMOUR THERAPY Univerzita Palackeho (CZ) 2012-07-18 EP disclosed
EP-2438068-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-04-11 EP disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
WO-2011029415-A1 CYCLOBUTAN-1,1 -DICARBOXYLATO COMPLEXES OF PLATINUM WITH N6-BENZYLADENINE DERIVATIVES, METHOD OF THEIR PREPARATION AND APPLICATION OF THESE COMPLEXES AS DRUGS IN ANTITUMOUR THERAPY UNIVERZITA PALACKEHO (CZ) 2011-03-17 WO disclosed
WO-2010139289-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-09 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-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 CDK2 3/4885CCNE1 80/4885CCNT1 26/4885

“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.