SCHEMBL540302

SCHEMBL540302

COC(=O)C(N)Cc1ccc(-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 7/20 0.50
AAK1 Q2M2I8 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PPID Q08752 1/20 0.45
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
ROCK2 O75116 2/20 0.43
PRKACA P17612 2/20 0.43
IRAK1 P51617 2/20 0.43
PRKX P51817 2/20 0.43
ROCK1 Q13464 2/20 0.43
PRKG1 Q13976 2/20 0.43
PKN2 Q16513 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
RPS6KB1 P23443 1/20 0.43
LIMK1 P53667 1/20 0.43
PRKG2 Q13237 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
AURKB Q96GD4 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43

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
SCHEMBL540000 1.00 GPR142 (0.50) GPR142AAK1ALDH1A1PPIDF10
Hydrochloric Acid SCHEMBL540001 0.98 GPR142 (0.49) GPR142AAK1ALDH1A1PPIDF10
Hydrochloric Acid SCHEMBL539999 0.98 GPR142 (0.49) GPR142AAK1ALDH1A1PPIDF10
Hydrochloric Acid SCHEMBL1151207 0.98 GPR142 (0.49) GPR142AAK1ALDH1A1PPIDF10
SCHEMBL2059222 0.91 ALDH1A1 (0.47) GPR142ALDH1A1PTGS2
SCHEMBL19699287 0.91 ALDH1A1 (0.47) GPR142ALDH1A1PTGS2
SCHEMBL5401318 0.91 ALDH1A1 (0.47) GPR142ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL2106188 0.89 ALDH1A1 (0.49) GPR142ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL5494193 0.89 ALDH1A1 (0.49) GPR142ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL5494194 0.89 ALDH1A1 (0.49) GPR142ALDH1A1PTGS2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262364-B1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES VTV THERAPEUTICS LLC (US) 2016-03-02 EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-9120813-B2 Oxadiazoanthracene compounds for the treatment of diabetes VTV THERAPEUTICS LLC (US) 2015-09-01 US disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes VTV THERAPEUTICS LLC 2015-03-26 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-8933222-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, LLC (US) 2015-01-13 US disclosed
US-20140187769-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes TRANSTECH PHARMA, LLC (US) 2014-07-03 US disclosed
US-8703766-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, LLC (US) 2014-04-22 US disclosed
US-7906507-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2011-03-15 US disclosed
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-02-17 US disclosed
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2010-12-23 US disclosed
EP-2262364-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TransTech Pharma, Inc (US) 2010-12-22 EP disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 WO disclosed
US-7790714-B2 treating non-insulin dependent diabetes comprising administering a glucagon-like peptide receptor modulators such as (S)-2-({(S)-6-benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid TRANSTECH PHARMA, INC. (US) 2010-09-07 US disclosed
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2010-08-05 US disclosed
US-7727983-B2 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability TRANSTECH PHARMA, INC. (US) 2010-06-01 US disclosed
US-20090306063-A1 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability TRANS TECH. PHARMA. INC. (US) 2009-12-10 US disclosed
WO-2009111700-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2009-09-11 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 (7 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-20140187769-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, INSR, GPR119 GPR142 1184/4885AAK1 1701/4885ALDH1A1 226/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 GPR142 124/4885AAK1 507/4885ALDH1A1 737/4885
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC GPR142 1657/4885AAK1 2208/4885ALDH1A1 102/4885
US-20090306063-A1 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability GLP1R, GIPR, GCGR GPR142 157/4885AAK1 711/4885ALDH1A1 637/4885
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC GPR142 1657/4885AAK1 2208/4885ALDH1A1 102/4885
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC GPR142 1657/4885AAK1 2208/4885ALDH1A1 102/4885
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, GPR119, OTC GPR142 1420/4885AAK1 2204/4885ALDH1A1 91/4885

“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.