SCHEMBL674098

SCHEMBL674098

O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)nc1OCC(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.47
SLC6A12 P48065 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
IDH1 O75874 2/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37

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
SCHEMBL674097 1.00 PTGES (0.47) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL673640 0.97 PTGES (0.45) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL673641 0.97 PTGES (0.45) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL10091473 0.86 SLC6A12 (0.41) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL674066 0.86 SLC6A12 (0.41) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL674065 0.86 SLC6A12 (0.41) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL672045 0.85 CNR1 (0.42) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL672044 0.85 CNR1 (0.42) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL674115 0.84 SLC6A12 (0.39) PTGESSLC6A12CNR1CNR2HPGD
SCHEMBL674114 0.84 SLC6A12 (0.39) PTGESSLC6A12CNR1CNR2HPGD

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 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
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-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
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 PTGES 132/4885SLC6A12 4604/4885CNR1 1288/4885
US-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885SLC6A12 4841/4885CNR1 42/4885

“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.