SCHEMBL774973

SCHEMBL774973

COc1cc(OC)c(OC)cc1C[NH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.52
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 3/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HMGCR P04035 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 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
SCHEMBL12845585 0.77 TAAR1 (0.65) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL30600118 0.77 TAAR1 (0.65) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL900875 0.76 CYP3A4 (0.48) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL7955089 0.75 HTR2A (0.52) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL1886751 0.75 HTR2A (0.52) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL900127 0.75 HTR2A (0.52) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL774974 0.75 HTR2A (0.57) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL2340417 0.75 HTR2A (0.52) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL17394562 0.75 HTR2A (0.52) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL95746 0.75 PDE4A (0.64) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1

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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US disclosed
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (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 (3 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP HTR2A 2455/4885CYP3A4 4358/4885KDM4E 3704/4885
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 HTR2A 3798/4885CYP3A4 4016/4885KDM4E 3951/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP HTR2A 2574/4885CYP3A4 4487/4885KDM4E 3456/4885

“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.