SCHEMBL1338306

SCHEMBL1338306

Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)ncc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.51
BRAF P15056 7/20 0.49
RAF1 P04049 3/20 0.49
EPAS1 Q99814 1/20 0.45
CYP2D6 P10635 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41

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
SCHEMBL12130168 0.95 PTGES (0.53) PTGESBRAFRAF1EPAS1CYP2D6
SCHEMBL1337846 0.93 PTGES (0.49) PTGESBRAFRAF1EPAS1RIOK2
SCHEMBL1974213 0.87 BRAF (0.53) PTGESBRAFRAF1EPAS1
SCHEMBL1975355 0.86 PTGES (0.56) PTGESBRAFCYP2D6
SCHEMBL1338796 0.85 BRAF (0.47) PTGESBRAFRAF1
SCHEMBL1338403 0.83 PTGES (0.40) PTGESBRAF
SCHEMBL1337866 0.82 PTGES (0.40) PTGESBRAFRAF1
SCHEMBL1336336 0.82 LCK (0.40) PTGES
SCHEMBL1337815 0.80 ALDH1A1 (0.48) PTGESBRAFRAF1
SCHEMBL10173438 0.79 PTGES (0.51) PTGESBRAFRAF1EPAS1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US claimed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US claimed
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] 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-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, IL4, MAP7D3 PTGES 151/4885BRAF 967/4885RAF1 1237/4885

“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.