SCHEMBL15212170

SCHEMBL15212170

CS(=O)(=O)c1ccc(C2CC2NOC(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.45
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
SLC6A4 P31645 1/20 0.41
PTGS2 P35354 2/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
RIPK1 Q13546 1/20 0.35
EPHX1 P07099 2/20 0.35
EPHX2 P34913 2/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL2215854 0.81 KDM1A (0.43) KDM1AMAOBMAOASLC6A4KCNH2
SCHEMBL15212480 0.74 SMN1; SMN2 (0.51) KDM1AMAOBMAOASLC6A4FPR1
SCHEMBL3045300 0.73 KDM1A (0.41) KDM1AMAOBMAOARIPK1SMN1; SMN2
SCHEMBL15222849 0.73 MAOB (0.71) KDM1AMAOBMAOASLC6A4FPR1
SCHEMBL15554113 0.72 SLC9A1 (0.42) KDM1AEPHX2
SCHEMBL27908354 0.71 KDM1A (0.41) KDM1AMAOBMAOASMN1; SMN2NPSR1
Trifluoroacetic Acid SCHEMBL15212166 0.71 KDM4E (0.49) KDM1AMAOBMAOAKCNH2
SCHEMBL27908161 0.70 KDM1A (0.46) KDM1AMAOBMAOASLC6A4KCNH2
SCHEMBL27898196 0.70 KDM1A (0.40) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL27898192 0.69 KDM1A (0.40) KDM1AMAOBMAOASMN1; 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 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 KDM1A 1254/4885MAOB 554/4885MAOA 357/4885

“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.