SCHEMBL3761977

SCHEMBL3761977

CCOC(=O)CC(=O)N(CCC(C)C)n1cc(C#N)cc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
BRAF P15056 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13059464 0.93 CYP11B1 (0.33) GPR35CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL13620405 0.77 GABRA1 (0.38) KDM4EALDH1A1LMNACYP11B1CYP11B2
SCHEMBL3768618 0.69 CYP11B1 (0.39) GPR35CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3756458 0.63 CYP11B1 (0.41) GPR35CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6867476 0.59 GABRA1 (0.57) KDM4EALDH1A1FNTAFNTBSMN1; SMN2
SCHEMBL9899919 0.59 KDM4E (0.40) GPR35KDM4EALDH1A1POLBFNTA
SCHEMBL24843179 0.58 GPR35 (0.46) GPR35KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL21822502 0.57 MAPT (0.50) KDM4EPOLBSMN1; SMN2MAPTLMNA
SCHEMBL14487029 0.57 GAA (0.58) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1919184 0.56 GSK3B (0.53) KDM4EALDH1A1SMN1; SMN2MAPTTSHR

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 9 patents. 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
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-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-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 GPR35 2072/4885CACNA1F 4403/4885CACNA1D 4248/4885
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 GPR35 2072/4885CACNA1F 4403/4885CACNA1D 4248/4885
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 GPR35 2072/4885CACNA1F 4403/4885CACNA1D 4248/4885

“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.