SCHEMBL2301672

SCHEMBL2301672

CCCC[C@H](C)NC(=O)c1cnc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.39
LMNA P02545 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MLYCD O95822 1/20 0.36
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LCK P06239 3/20 0.35
CRHR1 P34998 1/20 0.34

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
SCHEMBL2301677 1.00 ADORA2A (0.39) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2685086 1.00 ADORA2A (0.39) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2683561 0.97 MLYCD (0.39) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2685065 0.97 MLYCD (0.39) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2683559 0.97 MLYCD (0.39) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2685828 0.96 CNR1 (0.40) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2685824 0.96 CNR1 (0.40) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2685844 0.96 CNR1 (0.40) ADORA2ALMNATAS1R3TAS1R1IRAK4
SCHEMBL2304205 0.88 TAS1R3 (0.42) ADORA2ATAS1R3TAS1R1HDAC3HDAC1
SCHEMBL2308055 0.83 ADORA2A (0.49) ADORA2AHDAC6CNR1SMN1; 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 8 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
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US 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-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 4533/4885LMNA 3024/4885TAS1R3 1707/4885

“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.