SCHEMBL1338796

SCHEMBL1338796

Cn1c(Nc2cnccc2C(F)(F)F)nc2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)ncc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.47
RAF1 P04049 5/20 0.47
MAPT P10636 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PTGES O14684 1/20 0.43
LCK P06239 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
GRM5 P41594 1/20 0.39
CBLB Q13191 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL1337846 0.86 PTGES (0.49) BRAFRAF1PTGESLCKGRM5
SCHEMBL1338306 0.85 PTGES (0.51) BRAFRAF1PTGES
SCHEMBL12130168 0.82 PTGES (0.53) BRAFRAF1PTGES
SCHEMBL1974213 0.72 BRAF (0.53) BRAFRAF1PTGESLCKALOX15
SCHEMBL1975355 0.71 PTGES (0.56) BRAFPTGES
SCHEMBL1336139 0.69 GRM5 (0.47) GRM5ALOX15TSHRCASP1NPSR1
SCHEMBL12131891 0.69 PTGES (0.46) BRAFRAF1PTGESGRM5
SCHEMBL17894014 0.68 SORT1 (0.48) BRAFGRM5ALOX15TSHRCASP1
SCHEMBL1338403 0.68 PTGES (0.40) BRAFPTGES
SCHEMBL1338184 0.67 PTGES (0.52) BRAFRAF1PTGESHDAC11

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-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US claimed
EP-2361252-A1 3H-IMIDAZO [4, 5-C]PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-31 EP claimed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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

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 BRAF 967/4885RAF1 1237/4885MAPT 466/4885

“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.