SCHEMBL2303597

SCHEMBL2303597

CCOc1nc(N)c(NC(=O)OC(C)(C)C)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPKAPK2 P49137 7/20 0.38
MAP4K4 O95819 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
BACE1 P56817 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PRKD3 O94806 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAP4K2 Q12851 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
SCHEMBL2305552 0.83 MAPKAPK2 (0.39) MAPKAPK2MAP4K4PRKD3MAPK8MAPK9
SCHEMBL2683652 0.78 ALDH1A1 (0.42) ALOX15ALDH1A1MAP4K4TDP1ABL1
Hydrochloric Acid SCHEMBL2307974 0.77 ALDH1A1 (0.41) ALOX15ALDH1A1MAP4K4TDP1ABL1
SCHEMBL11980763 0.72 PDGFRB (0.44) ALDH1A1MAP4K4KDRPRKD3MAPK8
SCHEMBL7146736 0.71 CFTR (0.44) ATRALOX15ALDH1A1ABL1KDM4E
SCHEMBL2933243 0.70 ATR (0.53) ATRALDH1A1MAP4K4LMNASMN1; SMN2
SCHEMBL6163196 0.70 GAA (0.49) ATRALDH1A1PIK3CDABL1EGFR
SCHEMBL25149107 0.70 BRD9 (0.43) ATRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2770021 0.69 ATR (0.55) ATRALDH1A1MAPKAPK2LMNAKDM4E
SCHEMBL2772617 0.69 ATR (0.49) ATRALOX15ALDH1A1MAPKAPK2KDM4E

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 ATR 3861/4885ALOX15 3665/4885ALDH1A1 1596/4885

“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.