SCHEMBL945183

SCHEMBL945183

OCC1COCCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
S1PR1 P21453 1/20 0.46
GBA1 P04062 1/20 0.46
SPHK2 Q9NRA0 3/20 0.45
SPHK1 Q9NYA1 3/20 0.45
PDK1 Q15118 1/20 0.43
POLB P06746 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL945182 1.00 SIGMAR1 (0.47) SIGMAR1S1PR1GBA1SPHK2SPHK1
SCHEMBL1880066 1.00 SIGMAR1 (0.47) SIGMAR1S1PR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1442190 0.98 SIGMAR1 (0.46) SIGMAR1S1PR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1442192 0.98 SIGMAR1 (0.46) SIGMAR1S1PR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1730624 0.98 SIGMAR1 (0.46) SIGMAR1S1PR1GBA1SPHK2SPHK1
SCHEMBL31048186 0.91 SPHK2 (0.49) SIGMAR1GBA1SPHK2SPHK1PDK1
SCHEMBL2465869 0.88 SIGMAR1 (0.54) SIGMAR1POLB
SCHEMBL2465872 0.88 SIGMAR1 (0.54) SIGMAR1POLB
SCHEMBL14995124 0.86
SCHEMBL2459177 0.86 LTA4H (0.42) SIGMAR1GBA1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583866-B2 Pyrido[2,3-b][1,4]oxazines or tetrahydropyrido[2,3-b][1,4]oxazepines as IAP antagonists BEONE MEDICINES I GMBH (CH) 2026-03-24 US disclosed
WO-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed
EP-4126871-B1 TRIAZOLONE COMPOUNDS HEPTARES THERAPEUTICS LTD (GB) 2024-05-08 EP disclosed
CN-117466884-A Heterocyclic compounds or salts thereof as ATR kinase inhibitors, pharmaceutical compositions containing same and uses thereof 德州大学系统董事会 2024-01-30 CN disclosed
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
CN-111867590-B Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2023-11-17 CN disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-05-11 US disclosed
US-20230146796-A1 TRIAZOLONE COMPOUNDS ASTRAZENECA AB (SE) 2023-05-11 US disclosed
CN-115916790-A Pyrido [2,3-b ] [1,4] oxazines or tetrahydropyrido [2,3-b ] [1,4] oxazepines as IAP antagonists 百济神州有限公司 2023-04-04 CN disclosed
US-5175158-A CONDENSED DIAZEPINONES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS DR. KARL THOMAE, GMBH (DE) 1992-12-29 US disclosed
EP-0254955-B1 Substituted pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed
EP-0306698-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION, AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1992-03-25 EP disclosed
US-5068234-A Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma STERLING DRUG INC. (US) 1991-11-26 US disclosed
EP-0444451-A2 3-Arylcarbonyl-1H-indoles useful as therapeutic agents STERLING WINTHROP INC. (US) 1991-09-04 EP disclosed
US-4971966-A BRADYCARDIAL, CARDIOVASCULAR DISORDERS KARL THOMAE GMBH (DE) 1990-11-20 US disclosed
US-4931436-A BRADYCARDIAL AGENTS DR. KARL THOMAE GMBH (DE) 1990-06-05 US disclosed
EP-0312895-A2 Condensed diazepinones, process for their preparation and medicament containing them Dr. Karl Thomae GmbH (DE) 1989-04-26 EP disclosed
EP-0306698-A1 Condensed diazepinones, processes for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1989-03-15 EP disclosed
EP-0254955-A2 Substituted pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-02-03 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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 SIGMAR1 247/4885S1PR1 288/4885GBA1 1113/4885
US-12583866-B2 Pyrido[2,3-b][1,4]oxazines or tetrahydropyrido[2,3-b][1,4]oxazepines as IAP antagonists BIRC2, BIRC3, BIRC5 SIGMAR1 1970/4885S1PR1 2264/4885GBA1 4579/4885
US-20230146796-A1 TRIAZOLONE COMPOUNDS ADORA2A, ADORA1, ADORA3 SIGMAR1 171/4885S1PR1 368/4885GBA1 453/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 SIGMAR1 2815/4885S1PR1 1479/4885GBA1 4279/4885

“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.