SCHEMBL439303

SCHEMBL439303

COc1ccc(CNC(=O)c2nc(-c3cncc(Cl)c3)cnc2-c2ccccc2F)nc1OC

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.67
HCRTR1 O43613 18/20 0.67
CYP3A4 P08684 3/20 0.62
HTR2A P28223 1/20 0.62

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
SCHEMBL441336 0.90 HCRTR2 (0.83) HCRTR2HCRTR1CYP3A4HTR2A
SCHEMBL441337 0.88 HCRTR2 (0.69) HCRTR2HCRTR1CYP3A4HTR2A
SCHEMBL440922 0.85 HCRTR2 (0.65) HCRTR2HCRTR1CYP3A4HTR2A
SCHEMBL441256 0.80 HCRTR1 (1.00) HCRTR2HCRTR1CYP3A4
SCHEMBL441347 0.79 HCRTR1 (0.59) HCRTR2HCRTR1CYP3A4HTR2A
SCHEMBL2253822 0.78 HCRTR1 (0.80) HCRTR2HCRTR1CYP3A4HTR2A
SCHEMBL439578 0.78 HCRTR1 (0.83) HCRTR2HCRTR1CYP3A4HTR2A
SCHEMBL2280032 0.78 HCRTR2 (0.82) HCRTR2HCRTR1CYP3A4HTR2A
Mk-1064 SCHEMBL30593431 0.77 HCRTR2 (1.00) HCRTR2HCRTR1CYP3A4HTR2A
Mk-1064 SCHEMBL3486358 0.77 HCRTR2 (1.00) HCRTR2HCRTR1CYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438041-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-04-11 EP claimed
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 US claimed
WO-2010141275-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO claimed
EP-1964860-B1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER TOSOH CORP (JP) 2017-07-05 EP disclosed
US-8871885-B2 Ethylene-a-olefin copolymer and molded article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-28 US disclosed
US-8841396-B2 Ethylene-α-olefin copolymer and molded article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-23 US disclosed
US-8809462-B2 Ethylene-α-olefin copolymer, molded article, catalyst for copolymerization, and method for producing an ethylene-α-olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20130324691-A1 Ethylene-a-Olefin Copolymer and Article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-05 US disclosed
US-8501891-B2 Ethylene-α-olefin copolymer and molded article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-06 US disclosed
US-20130005930-A1 ETHYLENE-alpha-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-20120123006-A1 RESIN COMPOSITION FOR CROSSLINKING/FOAM MOLDING, CROSSLINKED MOLDED FOAM, MEMBER FOR FOOTWEAR, AND FOOTWEAR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 US disclosed
US-20110136994-A1 OLEFIN POLYMERIZATION CATALYST AND PRODUCTION PROCESS OF OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-09 US disclosed
US-20110040059-A1 ETHYLENE-a-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20100310799-A1 ETHYLENE-a-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-09 US disclosed
WO-2010141275-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO disclosed
US-20100305292-A1 ETHYLENE-a-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-02 US disclosed
US-7838611-B2 Ethylene polymer, catalyst for ethylene polymer production, and method for producing ethylene polymer TOSOH CORPORATION (JP) 2010-11-23 US disclosed
US-7678866-B2 Polyethylene composition and process for producing same TOSOH CORPORATION (JP) 2010-03-16 US disclosed
US-20090137755-A1 ETHYLENE POLYMER, CATALYST FOR ETHYLENE POLYMER PRODUCTION, AND METHOD FOR PRODUCING ETHYLENE POLYMER TOSOH CORPORATION (JP) 2009-05-28 US disclosed
US-20040214953-A1 Polyethylene composition and process for producing same TOSOH CORPORATION 2004-10-28 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 (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-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885HCRTR1 2/4885CYP3A4 3617/4885

“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.