SCHEMBL2305220

SCHEMBL2305220

O=C(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1cnc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
ULK1 O75385 4/20 0.36
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
NAMPT P43490 2/20 0.32
CASP6 P55212 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.31
SPR P35270 1/20 0.31
CFTR P13569 1/20 0.31

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
SCHEMBL2301680 0.71 HPGDS (0.44) HTTHDAC6
SCHEMBL29692174 0.69 MGAM (0.43) HTTPOLBMAPTHDAC6LMNA
SCHEMBL202921 0.69 MGAM (0.43) HTTPOLBMAPTHDAC6LMNA
SCHEMBL29424854 0.68 MAPK1 (0.43) HDAC6LMNA
SCHEMBL2301543 0.68 MAPK1 (0.43) HDAC6LMNA
SCHEMBL12647215 0.68 SLC2A1 (0.47) HTTPOLBMAPTNAMPTHDAC6
SCHEMBL12664142 0.67 HDAC6 (0.36) HTTPOLBMAPTNAMPTHDAC6
SCHEMBL198340 0.67 GPR132 (0.36) HTTMAPTNAMPTHDAC6LMNA
Hydrochloric Acid SCHEMBL31571468 0.67 MAPK1 (0.42) HDAC6LMNA
SCHEMBL6985261 0.67 CA2 (0.40) CA2ULK1NAMPTCFTR

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 CA2 3144/4885ULK1 2490/4885HTT 4123/4885

“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.