SCHEMBL12435587

SCHEMBL12435587

CNc1ccc(OC)c2nc(C3CC3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ADORA3 P0DMS8 3/20 0.38
ADORA1 P30542 3/20 0.38
CDK1 P06493 1/20 0.35
CDK9 P50750 1/20 0.35
KIT P10721 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 3/20 0.35
APP P05067 1/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PBK Q96KB5 3/20 0.34
ADORA2A P29274 2/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1554106 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL12388739 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL1553709 0.77 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL1553435 0.77 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1553619 0.77 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1581359 0.76 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL1552957 0.76 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL1581399 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL30096849 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCDK9
Hydrochloric Acid SCHEMBL8568573 0.75 PDE4D (0.53) PDE4APDE4BPDE4CPDE4DPARP1

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-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 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-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 PDE4A 1462/4885PDE4B 1840/4885PDE4C 2018/4885

“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.