SCHEMBL896353

SCHEMBL896353

COc1cn[c]c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
HPGDS O60760 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 5/20 0.32
MAPK1 P28482 5/20 0.31
MAPT P10636 4/20 0.31
CASP1 P29466 4/20 0.31
CASP7 P55210 4/20 0.31
TDP1 Q9NUW8 3/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL2179435 0.80 CYP11B1 (0.40) NQO1CYP11B1CYP11B2RXFP1ALDH1A1
SCHEMBL2176126 0.77 ADORA2A (0.30) ADORA1
SCHEMBL1515421 0.74
SCHEMBL2177830 0.71 ALDH1A1 (0.38) CYP11B1CYP11B2ALDH1A1CYP1A1CYP1B1
SCHEMBL2180063 0.71
SCHEMBL896600 0.71
SCHEMBL895932 0.69
SCHEMBL1022718 0.69
SCHEMBL2176290 0.69
SCHEMBL2181274 0.69 CYP11B1 (0.36) CYP11B1CYP11B2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598176-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 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 (3 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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 NQO1 1276/4885HPGDS 4112/4885CYP11B1 3619/4885
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK NQO1 367/4885HPGDS 2246/4885CYP11B1 355/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK NQO1 367/4885HPGDS 2246/4885CYP11B1 355/4885

“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.