SCHEMBL2303397

SCHEMBL2303397

CCCCCCCCNC(=O)c1cnc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
CNR1 P21554 2/20 0.46
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
NAAA Q02083 2/20 0.42
PTGS2 P35354 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 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
SCHEMBL2308055 1.00 ADORA2A (0.49) ADORA2ACNR1DRD2DRD3HTR1A
SCHEMBL2303842 1.00 ADORA2A (0.49) ADORA2ACNR1DRD2DRD3HTR1A
SCHEMBL2685828 0.85 CNR1 (0.40) ADORA2ACNR1HDAC6
SCHEMBL2685844 0.85 CNR1 (0.40) ADORA2ACNR1HDAC6
SCHEMBL2685824 0.85 CNR1 (0.40) ADORA2ACNR1HDAC6
SCHEMBL2683561 0.84 MLYCD (0.39) ADORA2ACNR1HDAC6
SCHEMBL2683559 0.84 MLYCD (0.39) ADORA2ACNR1HDAC6
SCHEMBL2685065 0.84 MLYCD (0.39) ADORA2ACNR1HDAC6
SCHEMBL2301677 0.83 ADORA2A (0.39) ADORA2ACNR1HDAC6SMN1; SMN2
SCHEMBL2685086 0.83 ADORA2A (0.39) ADORA2ACNR1HDAC6SMN1; SMN2

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
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-A1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP claimed
WO-2010034799-A1 3H-IMIDAZ0 [4, 5-B] PYRIDINE- 6 -CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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 ADORA2A 4533/4885CNR1 1288/4885DRD2 4020/4885

“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.