SCHEMBL9900900

SCHEMBL9900900

CNc1nc(N2CCC(C(F)(F)F)CC2)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RHOA P61586 1/20 0.35
OPRK1 P41145 2/20 0.35
GALR2 O43603 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9899459 0.89 HTT (0.39) POLBCYP2C9CYP2C19MAPTTDP1
SCHEMBL9899698 0.87 ALDH1A1 (0.40) POLBMAPTTDP1ALDH1A1CHRM3
SCHEMBL9942031 0.87 ALDH1A1 (0.40) POLBMAPTTDP1ALDH1A1CHRM3
SCHEMBL9899695 0.87 ALDH1A1 (0.40) POLBMAPTTDP1ALDH1A1CHRM3
SCHEMBL14211207 0.87 HTT (0.49) POLBCYP2C9CYP2C19MAPTHTT
SCHEMBL9899158 0.86 OPRK1 (0.44) POLBMAPTTDP1ALDH1A1OPRK1
SCHEMBL14211291 0.85 HTT (0.38) POLBCYP2C9CYP2C19MAPTTDP1
SCHEMBL14118420 0.84 PTGES (0.40) POLBMAPTTDP1ALDH1A1
SCHEMBL9942033 0.84 PTGES (0.40) POLBMAPTTDP1ALDH1A1
SCHEMBL9898194 0.79 CYP2C9 (0.43) POLBCYP2C9CYP2C19MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES POLB 2270/4885CYP2C9 425/4885CYP2C19 610/4885

“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.