SCHEMBL786909

SCHEMBL786909

COc1cccc(CNc2nc(Cl)nc3c2ncn3C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.61
CDK2 P24941 6/20 0.61
CCNE2 O96020 3/20 0.61
CDK1 P06493 2/20 0.59
ADORA3 P0DMS8 2/20 0.54
ADORA2A P29274 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
PTBP1 P26599 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
YTHDC1 Q96MU7 2/20 0.51
CCNT1 O60563 2/20 0.51
CCNT2 O60583 2/20 0.51
CDK9 P50750 2/20 0.51
GAA P10253 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL15756806 0.89 CDK1 (0.67) CCNE1CDK2CCNE2CDK1ADORA3
SCHEMBL786378 0.88 YTHDC1 (0.57) CCNE1CDK2CCNE2CDK1ADORA3
SCHEMBL785804 0.87 CDK2 (0.69) CCNE1CDK2CCNE2CDK1ADORA3
SCHEMBL786075 0.85 YTHDC1 (0.62) CCNE1CDK2CDK1ADORA3ADORA2A
SCHEMBL786861 0.85 ADORA3 (0.61) CCNE1CDK2CCNE2ADORA3ADORA2A
SCHEMBL785898 0.84 ADORA3 (0.59) CCNE1CDK2CCNE2CDK1ADORA3
SCHEMBL786639 0.83 ADORA3 (0.58) CCNE1CDK2CCNE2CDK1ADORA3
SCHEMBL15117547 0.82 CCNE1 (0.55) CCNE1CDK2CCNE2CDK1ALDH1A1
SCHEMBL15117724 0.82 CDK2 (0.59) CCNE1CDK2CCNE2CDK1ALDH1A1
SCHEMBL15117718 0.82 CDK2 (0.58) CCNE1CDK2CCNE2CDK1ALDH1A1

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
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-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-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 CCNE1 80/4885CDK2 3/4885CCNE2 105/4885

“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.