SCHEMBL786858

SCHEMBL786858

CC(C)(O)CNc1nc(NCc2cc([N+](=O)[O-])ccc2O)c2ncn(C3CCCCC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 0.56
CDK2 P24941 12/20 0.56
CDK1 P06493 8/20 0.54
CDK7 P50613 3/20 0.52
CCNH P51946 3/20 0.52
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
CCNE2 O96020 3/20 0.43
CCNT2 O60583 1/20 0.43
MNAT1 P51948 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL786229 0.96 CCNE1 (0.54) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL786797 0.88 CCNE1 (0.50) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL15118282 0.87 CCNE1 (0.60) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL15118249 0.86 CCNE1 (0.59) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL15118243 0.86 CCNE1 (0.59) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL15118182 0.86 CCNE1 (0.69) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL15118260 0.86 CCNE1 (0.59) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL786093 0.86 CCNE1 (0.59) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL15118300 0.85 TDP1 (0.67) CCNE1CDK2CDK1CDK7CCNH
SCHEMBL786539 0.84 CDK2 (0.56) CCNE1CDK2CDK1CDK7CCNH

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 8 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 claimed
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 claimed
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 claimed
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 3/4885CDK1 6/4885

“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.