SCHEMBL3550831

SCHEMBL3550831

COC(=O)c1[c]cncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
CYP46A1 Q9Y6A2 1/20 0.38
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.36
RCE1 Q9Y256 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5069731 0.80 CDC7 (0.47) ALDH1A1HSD17B10HPGDTSHRCASP1
SCHEMBL12471517 0.78
SCHEMBL2706420 0.77 HPGD (0.42) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6332776 0.75
SCHEMBL2645108 0.74
SCHEMBL15367075 0.70 NAAA (0.45) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL2551793 0.69 ALDH1A1 (0.46) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL4919047 0.69 ALDH1A1 (0.38) KDM4EALDH1A1GAAGLATSHR
Methyl Isonicotinate SCHEMBL180574 0.69 CYP1A2 (0.60) KDM4EALDH1A1HSD17B10TSHRHTT
Methyl Isonicotinate SCHEMBL820082 0.69 CYP1A2 (0.60) KDM4EALDH1A1HSD17B10TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-6114580-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2000-09-05 US disclosed
EP-0888297-B1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-08-30 EP disclosed
WO-2000042017-A1 PHENANTHRIDINE-N-OXIDES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed
EP-1000035-A1 SUBSTITUTED 6-PHENYLPHENANTHRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-05-17 EP disclosed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US disclosed
CN-1216040-A N-arylsulfilimine compounds and their use as catalysts in preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-05-05 CN disclosed
WO-1999005113-A1 SUBSTITUTED 6-PHENYLPHENANTHRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-02-04 WO disclosed
EP-0888297-A1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS Dow AgroSciences LLC (US) 1999-01-07 EP disclosed
WO-1998021178-A1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 1998-05-22 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 (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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 KDM4E 1006/4885ALDH1A1 3053/4885GAA 4201/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 KDM4E 2174/4885ALDH1A1 4369/4885GAA 1104/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 KDM4E 2174/4885ALDH1A1 4369/4885GAA 1104/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 KDM4E 2174/4885ALDH1A1 4369/4885GAA 1104/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 KDM4E 2174/4885ALDH1A1 4369/4885GAA 1104/4885

“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.