SCHEMBL15212751

SCHEMBL15212751

C=CCS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
CYP19A1 P11511 2/20 0.45
PNMT P11086 1/20 0.44
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
IDO1 P14902 1/20 0.38
PTGS2 P35354 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL11345579 0.83 PNMT (0.42) MAPTCA1CA2CA9CA12
SCHEMBL8333388 0.79 MAPT (0.53) MAPTCA1CA2CA9CA12
SCHEMBL27860256 0.78 MAPT (0.43) MAPTCA1CA2CA9CA12
SCHEMBL11335931 0.77 MAPT (0.42) MAPTCA1CA2CA9CA12
SCHEMBL506270 0.76 MAPT (0.55) MAPTCA1CA2CA9CA12
SCHEMBL5316692 0.76 MAPT (0.50) MAPTCA1CA2CA9CA12
SCHEMBL13423489 0.75 MAPT (0.53) MAPTCA1CA2CA9CA12
SCHEMBL9820029 0.75 NPC1 (0.48) CA1CA2CA9CA12CYP19A1
SCHEMBL22057007 0.75 MAPT (0.53) MAPTCA1CA2CA9CA12
SCHEMBL4012964 0.75 KMT2A (0.44) CA1CA2CYP19A1PNMTALDH1A1

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
EP-3321257-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2018-05-16 EP disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
EP-2817295-B1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2017-11-01 EP disclosed
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-01-26 US disclosed
US-9493481-B2 Substituted 5-aminothieno[2,3—C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2016-11-15 US disclosed
EP-2817295-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2014-12-31 EP disclosed
WO-2013126856-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2013-08-29 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 (1 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-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM4, CHRM3 MAPT 507/4885CA1 2112/4885CA2 1830/4885

“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.