SCHEMBL3768618

SCHEMBL3768618

COC(=O)c1cc(C#N)cn1NCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.34
NAMPT P43490 3/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN2 Q96KS0 2/20 0.32
GPR35 Q9HC97 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL14338094 0.80 NPSR1 (0.40) NPSR1GAALMNAHTTKDM4E
SCHEMBL13059464 0.71 CYP11B1 (0.33) CYP11B1CYP11B2NPSR1CACNA1FCACNA1D
SCHEMBL13619706 0.70 MAPK1 (0.45) CYP11B1CYP11B2NPSR1GAALMNA
SCHEMBL3756458 0.70 CYP11B1 (0.41) CYP11B1CYP11B2GAANAMPTCACNA1F
SCHEMBL3761977 0.69 GPR35 (0.35) CYP11B1CYP11B2NPSR1CACNA1FCACNA1D
SCHEMBL11617641 0.66 KDM4E (0.51) CYP11B1CYP11B2NPSR1KDM4EHPGD
SCHEMBL11649033 0.66 LMNA (0.43) CYP11B1CYP11B2LMNAKDM4EHPGD
SCHEMBL11617645 0.64 CYP11B1 (0.39) CYP11B1CYP11B2GAALMNAHTT
SCHEMBL29225360 0.62 LMNA (0.40) NPSR1LMNAHTTKDM4EHPGD
SCHEMBL25392428 0.62 CYP11B1 (0.47) CYP11B1CYP11B2LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
US-7582754-B2 For treating hepatitis C virus infections; polymerase inhibitors ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582754-B2 For treating hepatitis C virus infections; polymerase inhibitors ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
EP-2038286-A1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
US-7462611-B2 inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one ANADYS PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462611-B2 inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one ANADYS PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462611-B2 inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one ANADYS PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
WO-2007150001-A1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2007-12-27 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 (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-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CYP11B1 42/4885CYP11B2 57/4885NPSR1 3266/4885
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CYP11B1 42/4885CYP11B2 57/4885NPSR1 3266/4885
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CYP11B1 42/4885CYP11B2 57/4885NPSR1 3266/4885

“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.