SCHEMBL786103

SCHEMBL786103

Cc1cccc(CNc2nc(NCC(C)O)nc3c2ncn3C(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.69
CDK1 P06493 8/20 0.69
CCNE1 P24864 9/20 0.67
CDK9 P50750 7/20 0.67
CDK5 Q00535 7/20 0.67
CDK5R1 Q15078 4/20 0.67
CCNT1 O60563 4/20 0.67
CCNB2 O95067 3/20 0.58
CCNB1 P14635 3/20 0.58
CCNB3 Q8WWL7 3/20 0.58
FLT3 P36888 1/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CDK7 P50613 2/20 0.55
CCNH P51946 1/20 0.55
CCNE2 O96020 2/20 0.54
CACNA1B Q00975 1/20 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
SCHEMBL786102 1.00 CDK2 (0.69) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL15118089 0.92 CDK2 (0.58) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL15118173 0.91 CDK2 (0.66) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL786759 0.91 CDK2 (0.74) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL786760 0.91 CDK2 (0.74) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL15117979 0.90 CDK2 (0.68) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL15117715 0.89 CDK2 (0.54) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL15117645 0.89 CDK2 (0.62) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL786359 0.88 CDK2 (0.73) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL786808 0.88 CDK2 (0.73) CDK2CDK1CCNE1CDK9CDK5

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 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
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

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 3/4885CDK1 6/4885CCNE1 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.