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Sugi Predict / Compounds / SCHEMBL671270

SCHEMBL671270

SCHEMBL671270

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MYC P01106 3/20 0.39
▸ MAX P61244 3/20 0.39
▸ HNF4A P41235 1/20 0.37
▸ CDC25B P30305 1/20 0.36
▸ HCAR3 P49019 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ DTYMK P23919 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1B1 P15121 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
SCHEMBL671292 0.90 POLB (0.41) GALR2LMNAPOLBMYCMAX
SCHEMBL10091447 0.87 MYC (0.36) GALR2LMNAPOLBMYCMAX
SCHEMBL14211206 0.85 POLB (0.42) GALR2LMNAPOLBCDC25BHCAR3
SCHEMBL670632 0.82 DTYMK (0.36) LMNAPOLBMYCMAXHNF4A
SCHEMBL2303749 0.82 PTGES (0.42) LMNAPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL671216 0.79 PTGES (0.41) POLBALDH1A1
SCHEMBL2355799 0.79 PTGES (0.41) POLBALDH1A1
SCHEMBL10091449 0.77 CDK5 (0.34) GALR2LMNAPOLBMYCMAX
SCHEMBL16192722 0.77 HNF4A (0.41) GALR2LMNAPOLBHNF4ACDC25B
SCHEMBL11985101 0.76 POLB (0.38) GALR2LMNAPOLBMYCMAX

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 22 patents — showing the first 20. 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-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-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US 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
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 — — EP disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — 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
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
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — WO 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 (2 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 GALR2 3260/4885LMNA 3024/4885POLB 3172/4885
US-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES GALR2 742/4885LMNA 2162/4885POLB 2198/4885

“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.