SCHEMBL1979358

SCHEMBL1979358

Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3ccc(C#N)cn3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.48
HDAC6 Q9UBN7 3/20 0.45
ITK Q08881 2/20 0.44
AURKA O14965 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
PHKG2 P15735 1/20 0.44
MARK3 P27448 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
RPS6KA3 P51812 1/20 0.44
NEK4 P51957 1/20 0.44
CSNK1G2 P78368 1/20 0.44
MAP4K2 Q12851 1/20 0.44
PRKAA1 Q13131 1/20 0.44

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
SCHEMBL16318704 0.89 RAB9A (0.55) HDAC6F10KMT2ANPC1RAB9A
SCHEMBL16318494 0.88 HDAC6 (0.46) HDAC6ITKAURKAMAP4K4CHEK2
SCHEMBL1970914 0.87 ALDH1A1 (0.55) HDAC6KMT2ANPC1RAB9ALCK
SCHEMBL13393214 0.86 HDAC6 (0.47) HDAC6F10KMT2ANPC1RAB9A
SCHEMBL1975476 0.83 HDAC6 (0.48) HDAC6NPC1RAB9ALCK
SCHEMBL1970087 0.81 SIRT2 (0.48) SIRT2IRAK4TMPRSS4F10KMT2A
SCHEMBL1972073 0.81 GRM5 (0.52) HDAC6KMT2ANPC1RAB9AMEN1
SCHEMBL16318598 0.80 HDAC6 (0.48) HDAC6NPC1RAB9ALCK
SCHEMBL1971451 0.80 HDAC6 (0.48) HDAC6NPC1RAB9ALCK
SCHEMBL16352214 0.80 NPC1 (0.55) HDAC6KMT2ANPC1RAB9ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 SIRT2 1274/4885HDAC6 177/4885ITK 4510/4885

“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.