SCHEMBL3756464

SCHEMBL3756464

CC(C)CCn1c(=O)oc(=O)c2cccn21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GRM2 Q14416 4/20 0.36
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PLK1 P53350 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL13905637 0.79 ALDH1A1 (0.30) ALDH1A1NPSR1
SCHEMBL25299521 0.72 POLB (0.32) TSHRMAPK1
SCHEMBL5308775 0.70 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1MAPTKDM4E
SCHEMBL3756334 0.70 ALDH1A1 (0.39) ALDH1A1GRM2MAPTKDM4ESMN1; SMN2
SCHEMBL6732982 0.69 ALDH1A1 (0.40) ALDH1A1GRM2TSHRMAPK1MAPT
SCHEMBL1522411 0.69 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1MAPTKDM4E
SCHEMBL6738553 0.67 ELANE (0.44) ALDH1A1TSHRMAPK1NPSR1
SCHEMBL5304933 0.66 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1MAPTKDM4E
SCHEMBL3761069 0.66 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL6738246 0.63 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2NPSR1

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 ALDH1A1 648/4885GRM2 3495/4885TSHR 2536/4885
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 ALDH1A1 648/4885GRM2 3495/4885TSHR 2536/4885
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 ALDH1A1 648/4885GRM2 3495/4885TSHR 2536/4885

“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.