SCHEMBL2194121

SCHEMBL2194121

O=[N+]([O-])c1ccc(OCc2ccccc2)nc1Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.53
PIN1 Q13526 3/20 0.52
GSK3A P49840 3/20 0.47
AURKA O14965 2/20 0.47
MAOA P21397 2/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
AR P10275 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TXNRD1 Q16881 2/20 0.42

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
SCHEMBL2192497 0.92 GSK3B (0.45) GSK3BPIN1GSK3AAURKAMAOA
SCHEMBL2195047 0.91 GSK3B (0.44) GSK3BPIN1GSK3AAURKAMAOA
SCHEMBL7834233 0.86 MAOA (0.49) PIN1MAOAARNPC1RAB9A
SCHEMBL13730216 0.86 MAOA (0.57) GSK3BPIN1GSK3AAURKAMAOA
SCHEMBL2192032 0.84 PIN1 (0.48) PIN1MAOACTSVCTSLNPC1
SCHEMBL2195942 0.84 MAPT (0.45) PIN1MAOACTSVCTSLAR
SCHEMBL2191861 0.84 NPC1 (0.46) GSK3BPIN1CTSVCTSLAR
SCHEMBL10815147 0.81 GSK3B (0.55) GSK3BPIN1GSK3AAURKARAB9A
SCHEMBL28831884 0.80 MAPT (0.43) PIN1MAOANPC1RAB9AMAPT
SCHEMBL16061775 0.80 PIN1 (0.43) GSK3BPIN1GSK3AMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507473-B2 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders ARENA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2010030360-A1 3H-IMIDAZO[4,5-b]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-18 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-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS GPR84, GPR119, GPR65 GSK3B 2274/4885PIN1 1505/4885GSK3A 2369/4885

“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.