SCHEMBL2305552

SCHEMBL2305552

CCOc1nc(N)c(NC(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.39
MAP4K4 O95819 2/20 0.38
AAK1 Q2M2I8 5/20 0.36
MAPK8 P45983 2/20 0.36
PRKD3 O94806 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PKN2 Q16513 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
STK17A Q9UEE5 1/20 0.36
LCK P06239 1/20 0.35

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
SCHEMBL2303597 0.83 ATR (0.44) MAPKAPK2MAP4K4MAPK8PRKD3MAPK9
SCHEMBL4790101 0.72 MAP4K4 (0.39) MAPKAPK2MAP4K4AAK1LCK
SCHEMBL30755793 0.72 NPC1 (0.40) AAK1
SCHEMBL30523464 0.72 MAPKAPK2 (0.41) MAPKAPK2MAP4K4AAK1
SCHEMBL29059732 0.72 MAPKAPK2 (0.41) MAPKAPK2MAP4K4AAK1
SCHEMBL7848797 0.71 METAP1 (0.52)
SCHEMBL13514362 0.71 GPR35 (0.40) MAPKAPK2AAK1STK17A
SCHEMBL5556756 0.70 AAK1 (0.46) AAK1
SCHEMBL28626965 0.70 AAK1 (0.46) AAK1
SCHEMBL6961002 0.70 AAK1 (0.47) AAK1

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 5 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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US 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 (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 MAPKAPK2 571/4885MAP4K4 15/4885AAK1 3090/4885

“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.