SCHEMBL786378

SCHEMBL786378

CCn1cnc2c(NCc3cccc(OC)c3O)nc(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.57
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CCNE1 P24864 6/20 0.54
CDK2 P24941 6/20 0.54
ADORA3 P0DMS8 3/20 0.52
ADORA2A P29274 1/20 0.52
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.50
PTBP1 P26599 1/20 0.50
HTT P42858 1/20 0.50
CCNE2 O96020 3/20 0.49
CCNT1 O60563 2/20 0.49
CCNT2 O60583 2/20 0.49

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
SCHEMBL786075 0.89 YTHDC1 (0.62) YTHDC1MAPTKDM4EMEN1KMT2A
SCHEMBL786909 0.88 CCNE1 (0.61) YTHDC1MAPTALDH1A1GAAKDM4E
SCHEMBL785804 0.85 CDK2 (0.69) MAPTALDH1A1MEN1KMT2ACCNE1
SCHEMBL786861 0.83 ADORA3 (0.61) CCNE1CDK2ADORA3ADORA2ACCNE2
SCHEMBL15118145 0.83 CDK2 (0.60) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL15117704 0.83 CCNE1 (0.55) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL15117977 0.82 CDK2 (0.59) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL785898 0.82 ADORA3 (0.59) CCNE1CDK2ADORA3ADORA2ATDP1
SCHEMBL15117783 0.82 CDK2 (0.80) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL15117551 0.82 CCNE1 (0.56) MAPTALDH1A1GAAKDM4EHSD17B10

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 5 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 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 YTHDC1 3826/4885MAPT 4339/4885ALDH1A1 1242/4885

“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.