SCHEMBL786828

SCHEMBL786828

CC(C)n1cnc2c(NCc3ccc(O)cc3O)nc(NC[C@@H](C)O)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.68
CCNE1 P24864 9/20 0.68
CDK5 Q00535 8/20 0.68
CDK9 P50750 7/20 0.68
CDK5R1 Q15078 7/20 0.68
CCNT1 O60563 6/20 0.68
CDK1 P06493 9/20 0.67
CCNB2 O95067 6/20 0.59
CCNB1 P14635 6/20 0.59
CCNB3 Q8WWL7 6/20 0.59
FLT3 P36888 1/20 0.58
CDK7 P50613 3/20 0.56
CCNH P51946 3/20 0.56
CACNA1B Q00975 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CCNE2 O96020 2/20 0.54
CCNT2 O60583 1/20 0.54

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
SCHEMBL786829 1.00 CDK2 (0.68) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL786063 0.92 CDK2 (0.68) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL786062 0.92 CDK2 (0.68) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL786369 0.91 CDK2 (0.64) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL786370 0.91 CDK2 (0.64) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL15117810 0.87 CDK2 (0.75) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL786562 0.85 CDK2 (0.71) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL786561 0.85 CDK2 (0.71) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL15118188 0.85 CDK2 (0.66) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL15118008 0.85 CDK2 (0.66) CDK2CCNE1CDK5CDK9CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 80/4885CDK5 16/4885

“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.