SCHEMBL786062

SCHEMBL786062

CC(C)n1cnc2c(NCc3cc(O)ccc3O)nc(NC[C@@H](C)O)nc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.68
CCNE1 P24864 13/20 0.68
CDK9 P50750 11/20 0.68
CCNT1 O60563 10/20 0.68
CDK5 Q00535 10/20 0.68
CDK5R1 Q15078 9/20 0.68
CDK1 P06493 5/20 0.67
CDK7 P50613 5/20 0.63
CCNH P51946 5/20 0.63
CCNT2 O60583 3/20 0.61
CCNE2 O96020 3/20 0.61
CCNB2 O95067 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
FLT3 P36888 1/20 0.58

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
SCHEMBL786063 1.00 CDK2 (0.68) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL786829 0.92 CDK2 (0.68) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL786828 0.92 CDK2 (0.68) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL786562 0.91 CDK2 (0.71) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL786561 0.91 CDK2 (0.71) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL15117810 0.90 CDK2 (0.75) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL15118008 0.90 CDK2 (0.66) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL15118188 0.90 CDK2 (0.66) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL15118170 0.90 CDK2 (0.77) CDK2CCNE1CDK9CCNT1CDK5
SCHEMBL15117956 0.89 CDK2 (0.64) CDK2CCNE1CDK9CCNT1CDK5

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 80/4885CDK9 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.