SCHEMBL9899698

SCHEMBL9899698

CNc1nc(N2CCC(C(F)(F)F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.38
PTGES O14684 11/20 0.37
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRK1 P41145 1/20 0.35

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
SCHEMBL9942031 1.00 ALDH1A1 (0.40) ALDH1A1POLBPTGESCHRM3PDE4A
SCHEMBL9899695 1.00 ALDH1A1 (0.40) ALDH1A1POLBPTGESCHRM3PDE4A
SCHEMBL9942033 0.96 PTGES (0.40) ALDH1A1POLBPTGESMAPTTDP1
SCHEMBL14118420 0.96 PTGES (0.40) ALDH1A1POLBPTGESMAPTTDP1
SCHEMBL9900900 0.87 POLB (0.39) ALDH1A1POLBCHRM3PDE4APDE4B
SCHEMBL14211201 0.86 ALDH1A1 (0.42) ALDH1A1POLBMAPT
SCHEMBL9899847 0.84 CHRM3 (0.41) PTGESCHRM3PDE4APDE4BPDE4C
SCHEMBL9899844 0.84 CHRM3 (0.41) PTGESCHRM3PDE4APDE4BPDE4C
SCHEMBL9899780 0.83 ALDH1A1 (0.40) ALDH1A1POLBPTGES
SCHEMBL9899775 0.83 ALDH1A1 (0.40) ALDH1A1POLBPTGES

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-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-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

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 ALDH1A1 112/4885POLB 2270/4885PTGES 3/4885

“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.