SCHEMBL84572

SCHEMBL84572

O=C(CBr)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.60
PTPN1 P18031 5/20 0.60
PLOD2 O00469 2/20 0.57
PLOD3 O60568 2/20 0.57
PLOD1 Q02809 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
HIF1A Q16665 1/20 0.57
NAPRT Q6XQN6 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MPO P05164 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2A6 P11509 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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 SCHEMBL899290 0.98 GSK3B (0.58) GSK3BPTPN1PLOD2PLOD3PLOD1
Bromide SCHEMBL66813 0.98 GSK3B (0.58) GSK3BPTPN1PLOD2PLOD3PLOD1
Bromide SCHEMBL6118414 0.98 GSK3B (0.58) GSK3BPTPN1PLOD2PLOD3PLOD1
Bromide SCHEMBL2773952 0.96 GSK3B (0.56) GSK3BPTPN1PLOD2PLOD3PLOD1
Bromide SCHEMBL9203773 0.86 GSK3B (0.63) GSK3BPTPN1PLOD2PLOD3PLOD1
Pyridine SCHEMBL18321129 0.83 GSK3B (0.76) GSK3BPTPN1PLOD2PLOD3PLOD1
SCHEMBL7428121 0.83 PLOD2 (0.60) GSK3BPTPN1PLOD2PLOD3PLOD1
SCHEMBL7265428 0.82 PLOD2 (0.53) GSK3BPTPN1PLOD2PLOD3PLOD1
SCHEMBL205280 0.82 GSK3B (0.80) GSK3BPTPN1
SCHEMBL10948430 0.80 PLOD2 (0.83) PLOD2PLOD3PLOD1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
EP-4139286-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF PRISM MEDICINES, INC. 2025-01-09 US disclosed
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 CN disclosed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 EP disclosed
US-12036210-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia ATROGI AB (SE) 2024-07-16 US disclosed
US-12036210-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia ATROGI AB (SE) 2024-07-16 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
EP-0321490-A4 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1990-05-14 EP disclosed
EP-0321490-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1989-06-28 EP disclosed
US-4751310-A Inhibition of the 5-lipoxygenase pathway SMITHKLINE BECKMAN CORPORATION (US) 1988-06-14 US disclosed
WO-1988001169-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
US-4725606-A AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1988-02-16 US disclosed
US-4719218-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
US-4697012-A IMMUNOLOGY, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1987-09-29 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed
EP-0169502-A2 2-Benzyl-4-(2-morpholino)-4-Pyriol) Thiazole MERCK & CO. INC. (US) 1986-01-29 EP disclosed
EP-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 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 (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-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 GSK3B 3183/4885PTPN1 1910/4885PLOD2 1446/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GSK3B 3183/4885PTPN1 1910/4885PLOD2 1446/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 GSK3B 3174/4885PTPN1 862/4885PLOD2 4232/4885
US-12036210-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia SLC5A2, SLC5A1, GPR119 GSK3B 949/4885PTPN1 4090/4885PLOD2 4470/4885

“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.