SCHEMBL2336413

SCHEMBL2336413

O=C(O)c1cc(=O)[nH]cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
DYRK1A Q13627 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL29799903 0.83 KDM4E (0.41) LCKFYNDYRK1ACA12CA1
SCHEMBL29985287 0.80 KDM4E (0.45) DYRK1AHSD17B10KDM3BKDM4EADRA1A
SCHEMBL2315360 0.77 NR4A2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL21713969 0.75 NOTUM (0.54) DYRK1AHSD17B10KDM3BKDM4EADRA1A
SCHEMBL1658942 0.72 ADRA1A (0.52) DYRK1ACA12CA1CA2CA4
SCHEMBL23674857 0.72 GABRP (0.40) DYRK1AHSD17B10SMN1; SMN2KDM3BKDM4E
SCHEMBL71146 0.71 LCK (0.60) LCKFYNCA12CA1CA2
SCHEMBL2335288 0.71
SCHEMBL29857063 0.71 DYRK1A (0.50) DYRK1ACA12CA1CA2CA3
SCHEMBL11322639 0.71 NOTUM (0.54) DYRK1AHSD17B10KDM3BKDM4EALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903991-B1 ANTI-FIBROTIC PYRIDINONES INTERMUNE INC (US) 2020-09-16 EP disclosed
WO-2018073193-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-04-26 WO disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
WO-2015153683-A1 ANTI-FIBROTIC PYRIDINONES INTERMUNE, INC. (US) 2015-10-08 WO disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
EP-2358656-A2 SPIROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2011-08-24 EP disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 LCK 2188/4885FYN 2637/4885DYRK1A 4514/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 LCK 2188/4885FYN 2637/4885DYRK1A 4514/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 LCK 2188/4885FYN 2637/4885DYRK1A 4514/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 LCK 2188/4885FYN 2637/4885DYRK1A 4514/4885

“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.