SCHEMBL9899659

SCHEMBL9899659

CC(C)(C)OC(=O)NCc1cc(F)c(Cl)c(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.39
KCNA5 P22460 1/20 0.38
IDO1 P14902 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDK2 Q15119 1/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
EPAS1 Q99814 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL29075949 0.82 EPAS1 (0.40) KDM4AKCNA5IDO1CA12CA1
SCHEMBL2002789 0.80 KDM4A (0.41) KDM4AKCNA5CA12CA1CA2
SCHEMBL14211224 0.79 CTSS (0.38) KDM4AKCNA5IDO1PDK2CACNA1H
SCHEMBL22482386 0.79 KDM4A (0.43) KDM4AKCNA5IDO1CA12CA1
SCHEMBL29675302 0.79 KDM4A (0.43) KDM4AKCNA5IDO1CA12CA1
SCHEMBL670974 0.78 IDO1 (0.43) KDM4AKCNA5IDO1GAAMAPKAPK2
SCHEMBL9899880 0.78 PDK2 (0.35) KDM4AKCNA5IDO1PDK2GAA
SCHEMBL29675308 0.77 KDM4A (0.44) KDM4AKCNA5CA12CA1CA2
SCHEMBL22482387 0.77 KDM4A (0.44) KDM4AKCNA5CA12CA1CA2
SCHEMBL13881841 0.77 AAK1 (0.43) KDM4AIDO1CA12CA1CA2

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 7 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-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
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 KDM4A 2564/4885KCNA5 2343/4885IDO1 1407/4885

“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.