SCHEMBL438335

SCHEMBL438335

COc1ccc(CN)nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NQO2 P16083 1/20 0.35
NFKB1 P19838 2/20 0.35
PDE10A Q9Y233 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
ADRA1A P35348 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL7960097 0.85 KDM4E (0.41) KDM4EKMT2ATSHRGAA
SCHEMBL931975 0.85 KDM4E (0.46) KDM4EATMKMT2ANFKB1PDE10A
Hydrochloric Acid SCHEMBL1871955 0.84 KDM4E (0.44) KDM4EKMT2ATSHRGAA
SCHEMBL13634487 0.82 PDE4B (0.39) KDM4EKMT2AKCNH2TLR7NQO2
SCHEMBL18209493 0.80 CCR1 (0.43) KDM4EKMT2AKCNH2TLR7NQO2
SCHEMBL2688403 0.80 CD274 (0.34) KDM4EPDCD1LG2CD274CYP1A2
SCHEMBL19915761 0.80 TLR8 (0.42) KEAP1KDM4EATMNQO2NFKB1
SCHEMBL25241997 0.78 MBOAT4 (0.46) NQO2PDCD1LG2CD274
SCHEMBL31017389 0.78 MBOAT4 (0.46) NQO2PDCD1LG2CD274
SCHEMBL22446798 0.77 KMT2A (0.34) KDM4EATMKMT2AKCNH2TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
CN-102272103-B ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-21 CN disclosed
US-8927671-B2 Ethylene-α-olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-06 US 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
EP-2349267-B1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-7678866-B2 Polyethylene composition and process for producing same TOSOH CORPORATION (JP) 2010-03-16 US disclosed
WO-2010017260-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 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
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO disclosed
EP-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP 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-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 KEAP1 480/4885KDM4E 1320/4885ATM 4850/4885

“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.