SCHEMBL4178176

SCHEMBL4178176

CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MAPK1 P28482 2/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
GAA P10253 4/20 0.61
KDM4E B2RXH2 2/20 0.61
APOBEC3G Q9HC16 2/20 0.61
POLB P06746 2/20 0.61
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
PPARG P37231 1/20 0.60
TP53 P04637 1/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL2372160 0.83 MAPK1 (0.62) MAPTMAPK1CA1CA2CA9
SCHEMBL12000927 0.83 GAA (0.64) MAPTMAPK1CA1CA2CA9
SCHEMBL5806238 0.83 MAPK1 (0.67) MAPTMAPK1CA1CA2CA9
SCHEMBL13949767 0.82 POLB (0.68) MAPTMAPK1CA1CA2CA9
SCHEMBL20750437 0.82 POLB (0.64) MAPTMAPK1CA1CA2CA9
SCHEMBL12132459 0.82 ALDH1A1 (0.58) MAPTMAPK1CA1CA2CA9
SCHEMBL5881832 0.81 MAPK1 (0.60) MAPTMAPK1CA1CA2CA9
SCHEMBL863061 0.80 MAPK1 (0.68) MAPTMAPK1CA1CA2CA9
SCHEMBL1507919 0.80 SLC40A1 (0.76) GAAPOLBALDH1A1KMT2AMEN1
SCHEMBL5881829 0.80 MAPK1 (0.58) MAPTMAPK1CA1CA2CA9

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2019-11-14 US disclosed
EP-2704720-B1 PYRUVATE KINASE R ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
EP-0495594-A1 Sulphonamide derivatives ZENECA LIMITED (GB) 1992-07-22 EP 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 (8 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-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 MAPT 3983/4885MAPK1 3789/4885CA1 3720/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 MAPT 1845/4885MAPK1 1163/4885CA1 2152/4885
US-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 MAPT 2867/4885MAPK1 1197/4885CA1 3941/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 MAPT 4162/4885MAPK1 1331/4885CA1 1666/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 MAPT 3377/4885MAPK1 1653/4885CA1 4837/4885
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 MAPT 2867/4885MAPK1 1197/4885CA1 3941/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 MAPT 1623/4885MAPK1 1852/4885CA1 1637/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 MAPT 2022/4885MAPK1 1081/4885CA1 2321/4885

“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.