SCHEMBL1338935

SCHEMBL1338935

O=C(Nc1cc(C2CCC2)ccn1)c1cc2[nH]c(Nc3c(Cl)cncc3Cl)nc2cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GSK3B P49841 1/20 0.39
PTGES O14684 8/20 0.38
TBK1 Q9UHD2 5/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 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
SCHEMBL1338208 0.90 PTGES (0.42) PTGESTBK1BRAF
SCHEMBL1338370 0.81 PTGES (0.44) PTGESTBK1RAF1BRAFKDR
SCHEMBL1338080 0.80 PTGES (0.40) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL1338985 0.78 GRM5 (0.43) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL1338865 0.78 PTGES (0.44) PTGESKCNH2
SCHEMBL1336731 0.76 PTGES (0.42) PTGESKCNH2
SCHEMBL1338284 0.76 RAF1 (0.45) MAPTPTGESRAF1BRAF
SCHEMBL1338738 0.75 PTGES (0.45) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL1337168 0.75 DEGS1 (0.40) MAPTPTGESPDE4APDE4BPDE4C
SCHEMBL12131891 0.74 PTGES (0.46) PTGESKCNH2RAF1BRAFKDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US claimed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US claimed
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, IL4, MAP7D3 MAPT 466/4885GSK3B 4139/4885PTGES 151/4885

“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.