SCHEMBL2301686

SCHEMBL2301686

CCC1CCC(NC(=O)c2cnc3c(c2)nc(Nc2c(Cl)cccc2Cl)n3C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.42
HPGDS O60760 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
CRHR1 P34998 3/20 0.39
CRHR2 Q13324 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
ADORA2A P29274 1/20 0.38
TTK P33981 2/20 0.38

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
SCHEMBL2683691 0.90 PTGES (0.44) PTGESHPGDSNTRK1NTRK3NTRK2
SCHEMBL2683689 0.90 PTGES (0.44) PTGESHPGDSNTRK1NTRK3NTRK2
SCHEMBL2302105 0.88 PTGES (0.42) PTGESHPGDSNTRK1NTRK3NTRK2
SCHEMBL2302106 0.88 PTGES (0.42) PTGESHPGDSNTRK1NTRK3NTRK2
SCHEMBL2304335 0.88 HPGDS (0.48) PTGESHPGDS
SCHEMBL10173505 0.87 PTGES (0.47) PTGESHPGDSNTRK1NTRK3NTRK2
SCHEMBL10173433 0.87 PTGES (0.56) PTGES
SCHEMBL2685469 0.87 PTGES (0.47) PTGESHPGDSNTRK1NTRK3NTRK2
SCHEMBL2690981 0.84 PTGES (0.52) PTGESNTRK1NTRK3NTRK2
SCHEMBL2690979 0.84 PTGES (0.52) PTGESNTRK1NTRK3NTRK2

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-2350073-B1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-12 EP claimed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US claimed
EP-2350073-A1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP claimed
WO-2010034799-A1 3H-IMIDAZ0 [4, 5-B] PYRIDINE- 6 -CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
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-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
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 PTGES 132/4885HPGDS 427/4885NTRK1 1220/4885

“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.