SCHEMBL2193606

SCHEMBL2193606

O=[N+]([O-])c1ccc(O)nc1NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
CDK2 P24941 1/20 0.50
HCAR3 P49019 2/20 0.46
GABBR2 O75899 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
ATM Q13315 2/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
BLM P54132 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2196597 1.00 KMT2A (0.50) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL2194577 0.87 TXNRD1 (0.38) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL2192681 0.87 GSK3A (0.50) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL2194372 0.87 GSK3A (0.50) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL2194075 0.86 HCAR3 (0.40) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL2195964 0.83 GSR (0.52) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL2194981 0.81 MEN1 (0.40) KMT2AMEN1TDP1LMNAMAPT
SCHEMBL22411263 0.81 GSR (0.53) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL29363127 0.81 GSR (0.53) KMT2AMEN1CDK2HCAR3GABBR2
SCHEMBL19708805 0.80 TXNRD1 (0.58) KMT2AMEN1CDK2GABBR2CYP1A2

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 KMT2A 3713/4885MEN1 2445/4885CDK2 2373/4885

“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.