SCHEMBL4477098

SCHEMBL4477098

Cc1ccc(NC(=O)Nc2ncc(CCc3nnc[nH]3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.40
MAPK13 O15264 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL1342307 0.87 MAPK14 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1341753 0.86 SMN1; SMN2 (0.35) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343914 0.85 MAPK14 (0.37) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343057 0.85 MAPK14 (0.39) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1342702 0.84 MAPK14 (0.40) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL1343767 0.83 MAPK14 (0.39) MAPK14MAPK13SMN1; SMN2NPC1RAB9A
SCHEMBL4475244 0.83 MAPK14 (0.42) MAPK14MAPK13
SCHEMBL1343509 0.83 MAPK14 (0.45) MAPK14MAPK13
SCHEMBL27712209 0.83 CCNE1 (0.38) MAPK14MAPK13AURKAAURKB
SCHEMBL1343374 0.83 NTRK1 (0.47) MAPK14MAPK13SMN1; SMN2

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-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (5 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 MAPK14 1028/4885MAPK13 687/4885SMN1; SMN2 2958/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 MAPK14 1028/4885MAPK13 687/4885SMN1; SMN2 2958/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 MAPK14 1220/4885MAPK13 720/4885SMN1; SMN2 3318/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 MAPK14 1028/4885MAPK13 687/4885SMN1; SMN2 2958/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 MAPK14 1028/4885MAPK13 687/4885SMN1; SMN2 2958/4885

“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.