SCHEMBL9899847

SCHEMBL9899847

CNc1nc(N2CCC(C(F)(F)F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTGES O14684 13/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
MAP3K6 O95382 2/20 0.37
MAP3K5 Q99683 2/20 0.37
HPGDS O60760 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL9899844 1.00 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9899974 0.96 PTGES (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9899978 0.96 PTGES (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL14234258 0.92 PTGES (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9942024 0.92 PTGES (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL14234106 0.91 CHRM3 (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9942000 0.91 CHRM3 (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL14233570 0.86 PTGES (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9942039 0.86 PTGES (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9942037 0.85 PTGES (0.39) PTGESSCN10AMAP3K6MAP3K5HPGDS

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
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES CHRM3 293/4885PDE4A 612/4885PDE4B 1101/4885

“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.