SCHEMBL785953

SCHEMBL785953

COc1cccc(CNc2nc(N)nc3c2nc(C2CCC(N)CC2)n3C(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.56
CDK2 P24941 6/20 0.56
CCNT1 O60563 3/20 0.56
CCNT2 O60583 3/20 0.56
CCNE2 O96020 3/20 0.56
CDK9 P50750 3/20 0.56
PKM P14618 3/20 0.47
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
PTBP1 P26599 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 7/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
ALOX5 P09917 1/20 0.40
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3444997 0.72 CCNE1 (0.75) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15117729 0.72 CCNE1 (1.00) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL2911156 0.70 CCNE1 (0.56) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15941138 0.69 CCNE1 (0.60) CCNE1CDK2CCNT1CCNE2CDK9
SCHEMBL2911161 0.69 CDK2 (0.66) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL3445797 0.69 CCNE1 (0.70) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15118198 0.69 CCNE1 (0.81) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15117849 0.68 CCNE1 (0.85) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15117834 0.68 CCNE1 (0.78) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL3445169 0.68 CDK2 (0.69) CCNE1CDK2CCNT1CCNT2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNE1 80/4885CDK2 3/4885CCNT1 26/4885

“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.