SCHEMBL2685065

SCHEMBL2685065

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
ADORA2A P29274 3/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
LMNA P02545 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
LCK P06239 4/20 0.36
CRHR1 P34998 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 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
SCHEMBL2683559 1.00 MLYCD (0.39) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2683561 1.00 MLYCD (0.39) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2685844 0.99 CNR1 (0.40) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2685828 0.99 CNR1 (0.40) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2685824 0.99 CNR1 (0.40) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2685086 0.97 ADORA2A (0.39) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2301677 0.97 ADORA2A (0.39) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2301672 0.97 ADORA2A (0.39) MLYCDADORA2ACNR1CNR2LMNA
SCHEMBL2304205 0.87 TAS1R3 (0.42) ADORA2ACNR1TAS1R3TAS1R1HDAC3
SCHEMBL2308055 0.84 ADORA2A (0.49) ADORA2ACNR1HDAC6

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 4 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-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

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 MLYCD 2195/4885ADORA2A 4533/4885CNR1 1288/4885

“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.