SCHEMBL3756458

SCHEMBL3756458

COC(=O)c1cc(C#N)cn1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GPR35 Q9HC97 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
NAMPT P43490 1/20 0.35
AR P10275 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
GAA P10253 1/20 0.34
F2 P00734 1/20 0.34
POLB P06746 1/20 0.34
CISD2 Q8N5K1 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1F O60840 1/20 0.32

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
SCHEMBL13059384 0.81 ALDH1A1 (0.37) CYP11B1CYP11B2KDM4EALDH1A1GPR35
SCHEMBL20859665 0.75 TDP1 (0.39) KDM4EALDH1A1LMNAGAAPOLB
SCHEMBL1299497 0.75 CA1 (0.44) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL1298784 0.74 ABL1 (0.42) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL1966318 0.74 NPSR1 (0.37) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL1298788 0.74 CA12 (0.38) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL4544326 0.72 L3MBTL1 (0.40) KDM4EALDH1A1HPGDGAAPOLB
Hydrochloric Acid SCHEMBL29155899 0.72 NPSR1 (0.36) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL3768618 0.70 CYP11B1 (0.39) CYP11B1CYP11B2KDM4EHPGDLMNA
SCHEMBL11617645 0.70 CYP11B1 (0.39) CYP11B1CYP11B2KDM4EALDH1A1HPGD

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 23 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
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
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 57/4885KDM4E 3649/4885
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CYP11B1 42/4885CYP11B2 57/4885KDM4E 3649/4885
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CYP11B1 42/4885CYP11B2 57/4885KDM4E 3649/4885

“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.