SCHEMBL248055

SCHEMBL248055

[O-][n+]1ccc2c(Br)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.37
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.32
SLC9A1 P19634 1/20 0.32
AHR P35869 1/20 0.31
MAPT P10636 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
APAF1 O14727 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL6435926 0.98 GPR84 (0.36) GPR84BCHEACHEBACE1SLC9A1
SCHEMBL31280106 0.84 ACHE (0.39) GPR84BCHEACHEBACE1AHR
SCHEMBL3579335 0.84 ACHE (0.39) GPR84BCHEACHEBACE1AHR
SCHEMBL5183808 0.76 CYP1A2 (0.50) GPR84BCHEACHEAHRALDH1A1
SCHEMBL13925373 0.76 CYP2A6 (0.50) GPR84ACHEALDH1A1L3MBTL1
SCHEMBL18480076 0.76 GPR84 (0.37) GPR84BCHEACHE
SCHEMBL20292597 0.76 GPR84 (0.37) GPR84BCHEACHE
SCHEMBL11310675 0.76 ALDH1A1 (0.50) GPR84MAPTKDM4EALDH1A1POLB
SCHEMBL13619068 0.76 BACE1 (0.36) BCHEACHEBACE1SLC9A1AHR
SCHEMBL304289 0.75 ALDH1A1 (0.35) GPR84MAPTHSP90AA1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
CN-110256411-B Preparation method of 2, 3-disubstituted benzo-gamma-pyrone derivative 华侨大学 2022-06-07 CN disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
CN-110256411-A A kind of 2,3- disubstituted benzenes simultaneously-preparation method of gamma-pyrone derivative 华侨大学 2019-09-20 CN disclosed
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US disclosed
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
EP-1689718-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 ACTIVITY GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005049576-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
WO-2005049577-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
CN-1275979-A Isoquinoline compounds useful as urokinase inhibitors PFIZER (US) 2000-12-06 CN disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 GPR84 2879/4885BCHE 358/4885ACHE 1099/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 GPR84 2879/4885BCHE 358/4885ACHE 1099/4885
US-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 GPR84 1983/4885BCHE 1484/4885ACHE 2028/4885
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 GPR84 3525/4885BCHE 4824/4885ACHE 4769/4885

“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.