SCHEMBL2304205

SCHEMBL2304205

CCCC(CCC)NC(=O)c1cnc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.42
TAS1R1 Q7RTX1 16/20 0.42
ADORA2A P29274 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR1 P21554 1/20 0.36

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
SCHEMBL2301672 0.88 ADORA2A (0.39) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2685086 0.88 ADORA2A (0.39) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2301677 0.88 ADORA2A (0.39) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2683561 0.87 MLYCD (0.39) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2685065 0.87 MLYCD (0.39) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2683559 0.87 MLYCD (0.39) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2685824 0.86 CNR1 (0.40) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2685844 0.86 CNR1 (0.40) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2685828 0.86 CNR1 (0.40) TAS1R3TAS1R1ADORA2AHDAC3HDAC1
SCHEMBL2308055 0.82 ADORA2A (0.49) ADORA2AHDAC6CNR1

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 7 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
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 TAS1R3 1707/4885TAS1R1 2569/4885ADORA2A 4533/4885

“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.