SCHEMBL3039233

SCHEMBL3039233

Nc1ccc(Br)c2c1C(=O)NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 2/20 0.42
PARP1 P09874 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL31717008 1.00 MEN1 (0.50) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL11518277 0.86 PARP1 (0.43) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL29441220 0.86 PARP1 (0.43) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL7429649 0.86 THRB (0.55) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL13290348 0.76 THRB (0.50) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL11360190 0.75 MEN1 (0.73) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL10355794 0.75 MEN1 (0.73) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL11152933 0.74 ADORA2A (0.50) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL1425210 0.70 GAA (0.37) MEN1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL18170525 0.69 MAOA (0.45) MEN1POLBMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128137-A1 BENZO FIVE-MEMBERED CYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-04-27 US disclosed
US-20230128137-A1 BENZO FIVE-MEMBERED CYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-04-27 US disclosed
WO-2023015944-A1 SUBSTITUTED ISOINDOLIN-1,3-DIONE PDE4 INHIBITOR AND PHARMACEUTICAL USE THEREOF 苏州璞正医药有限公司 2023-02-16 WO disclosed
EP-3738961-B1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2022-08-31 EP disclosed
EP-3738961-A1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF Medshine Discovery Inc. (CN) 2020-11-18 EP disclosed
WO-2020117832-A1 SMALL MOLECULE INHIBITORS OF THE BFRB:BFD INTERACTION UNIVERSITY OF KANSAS (US) 2020-06-11 WO disclosed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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 (3 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA MEN1 1064/4885POLB 2948/4885MAPT 1133/4885
US-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 MEN1 1165/4885POLB 4110/4885MAPT 3545/4885
US-20230128137-A1 BENZO FIVE-MEMBERED CYCLIC COMPOUND BCL2, BAX, BCL2L1 MEN1 4235/4885POLB 2410/4885MAPT 3044/4885

“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.