SCHEMBL786808

SCHEMBL786808

COc1cccc(CNc2nc(NC[C@@H](C)O)nc3c2ncn3C(C)C)c1O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.73
CCNE1 P24864 10/20 0.73
CDK9 P50750 5/20 0.70
CCNT1 O60563 4/20 0.70
CCNE2 O96020 3/20 0.70
CCNT2 O60583 2/20 0.70
CDK1 P06493 6/20 0.66
CDK5 Q00535 4/20 0.64
CDK5R1 Q15078 3/20 0.64
CCNB2 O95067 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FLT3 P36888 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
CDK7 P50613 1/20 0.53
CCNH P51946 1/20 0.53

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
SCHEMBL786358 1.00 CDK2 (0.73) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL786359 1.00 CDK2 (0.73) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL15118122 0.92 CDK2 (0.67) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL15117980 0.92 CDK2 (0.72) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL1354567 0.90 CDK2 (0.65) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL15117724 0.90 CDK2 (0.59) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL15117530 0.90 CDK2 (0.69) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL786760 0.89 CDK2 (0.74) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL786759 0.89 CDK2 (0.74) CDK2CCNE1CDK9CCNT1CCNE2
SCHEMBL15118145 0.88 CDK2 (0.60) CDK2CCNE1CDK9CCNT1CCNE2

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 CDK2 3/4885CCNE1 80/4885CDK9 22/4885

“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.