SCHEMBL785898

SCHEMBL785898

COc1cccc(CNc2nc(Cl)nc3c2ncn3C2CCCC2)c1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.59
ADORA2A P29274 7/20 0.59
CCNE1 P24864 4/20 0.55
CDK2 P24941 4/20 0.55
CCNT1 O60563 2/20 0.55
CCNT2 O60583 2/20 0.55
CCNE2 O96020 2/20 0.55
CDK9 P50750 2/20 0.55
ADORA1 P30542 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
CDK1 P06493 2/20 0.49
CTSL P07711 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
SCHEMBL786639 0.99 ADORA3 (0.58) ADORA3ADORA2ACCNE1CDK2CCNT1
SCHEMBL786861 0.96 ADORA3 (0.61) ADORA3ADORA2ACCNE1CDK2CCNT1
SCHEMBL6944125 0.91 ADORA3 (0.68) ADORA3ADORA2ACCNE1CDK2ADORA1
SCHEMBL6944575 0.90 ADORA3 (0.58) ADORA3ADORA2ACCNE1CDK2ADORA1
SCHEMBL6942994 0.88 ADORA3 (0.56) ADORA3ADORA2ACCNE1CDK2CCNE2
SCHEMBL15118248 0.84 CCNE1 (0.60) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15118270 0.84 CDK2 (0.59) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL786909 0.84 CCNE1 (0.61) ADORA3ADORA2ACCNE1CDK2CCNT1
SCHEMBL15118306 0.83 CCNE1 (0.61) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15118228 0.83 TDP1 (0.56) CCNE1CDK2CCNT1CCNT2CCNE2

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 ADORA3 220/4885ADORA2A 95/4885CCNE1 80/4885

“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.