SCHEMBL238904

SCHEMBL238904

Cc1onc(-c2ccccc2)c1N=C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 6/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MT-CO2 P00403 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
CA3 P07451 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL5431677 0.84 PTGS1 (0.53) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL28225375 0.81 PTGS2 (0.58) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL11210113 0.77 KMT2A (0.56) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL2407274 0.75 BRD4 (0.43) PTGS2PTGS1KMT2AMEN1CYP3A4
SCHEMBL2205047 0.75 PTGS1 (0.68) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL6380887 0.75 PTGS2 (0.58) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL10860093 0.74 MEN1 (0.40) KMT2AMEN1GAACA12CA1
SCHEMBL635055 0.71 MAPT (0.39) CYP3A4MAPTBRD4BRD2POLB
SCHEMBL10780275 0.71 ALDH1A1 (0.58) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL2277199 0.70 PTGS2 (1.00) PTGS2PTGS1KMT2AMT-CO2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414458-B Novel fused imidazobenzothiazole compounds TORRENT PHARMACEUTICALS LTD. (IN) 2019-10-29 CN disclosed
US-10227361-B2 Fused imidazobenzothiazole compounds TORRENT PHARMACEUTICALS LIMITED (IN) 2019-03-12 US disclosed
EP-3122755-B1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2018-11-07 EP disclosed
US-20180127437-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-10 US disclosed
US-9908898-B2 Fused imidazobenzothiazole compounds TORRENT PHARMACEUTICALS LIMITED (IN) 2018-03-06 US disclosed
US-20170107233-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2017-04-20 US disclosed
EP-3122755-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2017-02-01 EP disclosed
WO-2015145336-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2015-10-01 WO disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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 (5 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-20180127437-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS CYP3A5, CYP11B2, CYP3A4 PTGS2 432/4885PTGS1 1493/4885KMT2A 3688/4885
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 PTGS2 1207/4885PTGS1 682/4885KMT2A 4148/4885
US-10227361-B2 Fused imidazobenzothiazole compounds IPO4, CYP3A5, CYP3A4 PTGS2 1006/4885PTGS1 2090/4885KMT2A 3864/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 PTGS2 273/4885PTGS1 85/4885KMT2A 4746/4885
US-20170107233-A1 NOVEL FUSED IMIDAZOBENZOTHIAZOLE COMPOUNDS CYP3A5, CYP11B2, CYP3A4 PTGS2 432/4885PTGS1 1493/4885KMT2A 3688/4885

“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.