SCHEMBL1017013

SCHEMBL1017013

CCOC(=O)C=Cc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA7 P43166 1/20 0.68
CA9 Q16790 1/20 0.68
CA14 Q9ULX7 1/20 0.68
CYP3A4 P08684 1/20 0.59
TTR P02766 1/20 0.58
DPP4 P27487 1/20 0.58
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
MAOB P27338 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
FDPS P14324 1/20 0.50
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
KEAP1 Q14145 1/20 0.47

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
SCHEMBL1017011 1.00 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL4956580 0.89 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4956577 0.89 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.87 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.87 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.87 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL3143890 0.85 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL1260527 0.85 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL7742895 0.84 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8566955 0.82 KMT2A (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
EP-0135349-B1 CONDENSED SEVEN-MEMBERED RING COMPOUNDS AND THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1988-11-02 EP disclosed
EP-0288279-A2 1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-26 EP disclosed
US-4739066-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
US-4591458-A ENZYME INHIBITORS; HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-05-27 US disclosed
US-4559344-A ANTIULCER AGENTS LUDWIG HEUMANN & CO. GMBH (DE) 1985-12-17 US disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP disclosed
EP-0119510-A1 Pyridine-pyrimidinone derivatives, process for their preparation and medicines containing these compounds LUDWIG HEUMANN & CO GMBH (DE) 1984-09-26 EP 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 (4 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD CA12 4810/4885CA1 3633/4885CA2 3611/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CA12 3962/4885CA1 4389/4885CA2 3871/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD CA12 4790/4885CA1 3376/4885CA2 3576/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 CA12 1373/4885CA1 1803/4885CA2 298/4885

“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.