SCHEMBL2304464

SCHEMBL2304464

Nc1nc(OC2CCOC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 7/20 0.42
GRM4 Q14833 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
SOS1 Q07889 1/20 0.33
FFAR2 O15552 2/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
JAK3 P52333 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LRRK2 Q5S007 2/20 0.32

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
SCHEMBL25385200 0.86 TXNRD1 (0.42) TXNRD1JAK3MAPTALDH1A1
SCHEMBL14938693 0.84 TXNRD1 (0.44) TXNRD1SOS1LRRK2
SCHEMBL15972330 0.75 TXNRD1 (0.42) TXNRD1MAPTALDH1A1
SCHEMBL15972326 0.75 TXNRD1 (0.42) TXNRD1MAPTALDH1A1
SCHEMBL27894005 0.75 TDP1 (0.44) CYP3A4MAPTALDH1A1
SCHEMBL13083350 0.75 TDP1 (0.44) CYP3A4MAPTALDH1A1
SCHEMBL27893995 0.75 TDP1 (0.44) CYP3A4MAPTALDH1A1
SCHEMBL15674241 0.74 MERTK (0.47) TXNRD1GRM4MAPK8MAPK9MAPT
SCHEMBL16178461 0.72 LRRK2 (0.40) GRM4CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL22348578 0.72 TDP1 (0.47) CYP3A4SOS1MAPTALDH1A1

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-2350073-B1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-12 EP disclosed
US-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2350073-A1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP disclosed
WO-2010034799-A1 3H-IMIDAZ0 [4, 5-B] PYRIDINE- 6 -CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, MAPRE2, IL4 TXNRD1 1186/4885GRM4 1201/4885CYP3A4 450/4885

“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.