SCHEMBL2301680

SCHEMBL2301680

CNC(=O)c1cnc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.44
CDK8 P49336 1/20 0.42
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PLK1 P53350 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DYRK1A Q13627 2/20 0.37
KMT2A Q03164 1/20 0.37
GRM5 P41594 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
SCHEMBL12647215 0.83 SLC2A1 (0.47) CDK8HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL29692174 0.81 MGAM (0.43) HDAC6SMN1; SMN2RAB9AKMT2AHTT
SCHEMBL202921 0.81 MGAM (0.43) HDAC6SMN1; SMN2RAB9AKMT2AHTT
SCHEMBL12673418 0.80 HTT (0.38) HDAC6SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL14858820 0.80 MAPK1 (0.45) CDK8PSMD14TDP1KMT2AHTT
SCHEMBL29424854 0.79 MAPK1 (0.43) HPGDSCDK8PSMD14STAMBPCOPS5
SCHEMBL2301543 0.79 MAPK1 (0.43) HPGDSCDK8PSMD14STAMBPCOPS5
SCHEMBL12664142 0.79 HDAC6 (0.36) CDK8HDAC6SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL31571468 0.78 MAPK1 (0.42) HPGDSCDK8PSMD14STAMBPCOPS5
Bicarbonate SCHEMBL198341 0.76 NPC1 (0.52) HPGDSNPC1

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
US-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US 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

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 HPGDS 427/4885CDK8 1131/4885PSMD14 844/4885

“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.