SCHEMBL2924850

SCHEMBL2924850

Cc1cc(F)cc(CBr)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.33
IDO1 P14902 2/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 1/20 0.30
IDH1 O75874 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL12106814 0.82 RAPGEF4 (0.35) ACHERAPGEF4IDO1NR3C1PGR
SCHEMBL502038 0.82 ALDH1A1 (0.40) ACHEPGK1PGK2IDH1
SCHEMBL120092 0.82 IDO1 (0.46) IDO1
SCHEMBL5733912 0.82 IDO1 (0.46) IDO1
SCHEMBL2261460 0.82 PGK1 (0.42) ACHEIDO1PGK1PGK2IDH1
SCHEMBL31139277 0.82 IDO1 (0.40) IDO1
SCHEMBL5487052 0.82 IDO1 (0.46) IDO1
SCHEMBL14570491 0.80 ACHE (0.39) ACHERAPGEF4IDO1NR3C1PGR
SCHEMBL4160774 0.79 ALDH1A1 (0.38) ACHEPGK1PGK2IDH1
SCHEMBL11029571 0.79 IDO1 (0.44) IDO1

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-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 US disclosed
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 US disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-01 US disclosed
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-01 US disclosed
US-20180258044-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-13 US disclosed
WO-2017037116-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-09 WO disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
US-7255811-B2 Tolane derivatives and liquid crystalline medium MERCK PATENT GMBH (DE) 2007-08-14 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
CN-1100056-C Compound for inhibition of gastric acid secretion ASTRA AB (SE) 2003-01-29 CN disclosed
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
CN-1248257-A Compound for inhibition of gastric acid secretion ASTRA AB (SE) 2000-03-22 CN disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 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 (4 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 ACHE 1385/4885RAPGEF4 3889/4885IDO1 1007/4885
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT ACHE 1971/4885RAPGEF4 2759/4885IDO1 1156/4885
US-20180258044-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT ACHE 1971/4885RAPGEF4 2759/4885IDO1 1156/4885
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT ACHE 1971/4885RAPGEF4 2759/4885IDO1 1156/4885

“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.