SCHEMBL9899704

SCHEMBL9899704

Nc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(N2CCC(F)CC2)nc1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
CD38 P28907 1/20 0.36
MAP3K5 Q99683 3/20 0.36
MAP3K6 O95382 2/20 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
SCHEMBL9899702 1.00 PTGES (0.41) PTGESSCN10ADPP4DPP7CD38
SCHEMBL16882989 1.00 PTGES (0.41) PTGESSCN10ADPP4DPP7CD38
SCHEMBL9942006 0.94 PTGES (0.42) PTGESSCN10ADPP4DPP7CD38
SCHEMBL14233866 0.94 PTGES (0.42) PTGESSCN10ADPP4DPP7CD38
SCHEMBL9899978 0.88 PTGES (0.43) PTGESSCN10AMAP3K5MAP3K6
SCHEMBL9899974 0.88 PTGES (0.43) PTGESSCN10AMAP3K5MAP3K6
SCHEMBL14211213 0.87 RAB9A (0.43) MAP3K5MAP3K6
SCHEMBL9942022 0.86 PTGES (0.41) PTGESCD38
SCHEMBL14233420 0.86 PTGES (0.41) PTGESCD38
SCHEMBL9899780 0.86 ALDH1A1 (0.40) PTGESSCN10A

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 PTGES 3/4885SCN10A 3537/4885DPP4 2568/4885

“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.