SCHEMBL786867

SCHEMBL786867

CCC(Nc1nc(NCc2cc(S)ccc2O)c2ncn(C(C)C)c2n1)C(C)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.81
CDK9 P50750 14/20 0.81
CCNE1 P24864 13/20 0.81
CDK7 P50613 10/20 0.81
CCNH P51946 9/20 0.81
CCNT1 O60563 7/20 0.81
CDK5 Q00535 6/20 0.81
CDK5R1 Q15078 5/20 0.81
CDK1 P06493 8/20 0.67
CDK4 P11802 8/20 0.67
CCNB1 P14635 8/20 0.67
CCND1 P24385 6/20 0.67
MAPK1 P28482 6/20 0.67
CCNT2 O60583 2/20 0.67
CCNE2 O96020 2/20 0.67
CCNB2 O95067 1/20 0.67
CCNB3 Q8WWL7 1/20 0.67
CASK O14936 1/20 0.67
CCNA2 P20248 1/20 0.67
GSK3A P49840 1/20 0.67

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
SCHEMBL15117993 0.90 CDK2 (0.82) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL786849 0.90 CDK2 (0.66) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15117747 0.90 CDK2 (1.00) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15118151 0.90 CDK2 (0.81) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15118054 0.90 CDK2 (1.00) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15117602 0.90 CDK2 (0.81) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL786564 0.90 CDK2 (0.65) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15117584 0.88 CDK2 (0.79) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL785897 0.87 CCNE1 (0.69) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL786915 0.86 CDK2 (0.75) CDK2CDK9CCNE1CDK7CCNH

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 10 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
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 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
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 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 CDK2 3/4885CDK9 22/4885CCNE1 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.