SCHEMBL2690979

SCHEMBL2690979

CC1CCC(NC(=O)c2cnc3c(c2)nc(Nc2c(F)cccc2Cl)n3C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.52
MAPK8 P45983 2/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
MAPK14 Q16539 4/20 0.43
MAPKAPK2 P49137 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CSNK1E P49674 1/20 0.40
DDR1 Q08345 1/20 0.40
KCNH2 Q12809 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2690981 1.00 PTGES (0.52) PTGESMAPK8MAPK9MAPK10MAPK14
SCHEMBL2683689 0.94 PTGES (0.44) PTGESAURKAAURKBNTRK1NTRK3
SCHEMBL2683691 0.94 PTGES (0.44) PTGESAURKAAURKBNTRK1NTRK3
SCHEMBL10173433 0.85 PTGES (0.56) PTGES
SCHEMBL2685469 0.85 PTGES (0.47) PTGESMAPK14MAPKAPK2AURKAAURKB
SCHEMBL10173505 0.85 PTGES (0.47) PTGESMAPK14MAPKAPK2AURKAAURKB
SCHEMBL2302105 0.84 PTGES (0.42) PTGESAURKAAURKBNTRK1NTRK3
SCHEMBL2304335 0.84 HPGDS (0.48) PTGES
SCHEMBL2302106 0.84 PTGES (0.42) PTGESAURKAAURKBNTRK1NTRK3
SCHEMBL2301686 0.84 PTGES (0.42) 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 4 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
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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, MAPRE2, IL4 PTGES 132/4885MAPK8 215/4885MAPK9 179/4885

“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.