SCHEMBL9933113

SCHEMBL9933113

c1cnc2c(c1)OCCNC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
MAPK13 O15264 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK12 P53778 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
SSTR4 P31391 6/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
GRM5 P41594 2/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34

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 SCHEMBL18322001 0.98 KEAP1 (0.40) KEAP1MAPK13CSNK1DCSNK1EMAPK12
Hydrochloric Acid SCHEMBL26625864 0.98 KEAP1 (0.40) KEAP1MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL127996 0.75
SCHEMBL29396980 0.75
SCHEMBL30341141 0.72 RIPK1 (0.40) KEAP1ITGB2ICAM1ITGALPDE1A
SCHEMBL13573 0.72 RIPK1 (0.40) KEAP1ITGB2ICAM1ITGALPDE1A
SCHEMBL1093026 0.72 GRM5 (0.50) KEAP1ITGB2ICAM1ITGALGRM5
SCHEMBL22355446 0.71 KEAP1 (0.34) KEAP1HTR2CAPEX1
SCHEMBL10199987 0.71 SSTR4 (0.40) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL31111396 0.71 SSTR4 (0.40) SSTR4SSTR1SSTR2SSTR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652180-B1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-11-29 EP claimed
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2023-06-27 US claimed
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC 2022-08-25 US claimed
CN-111094293-A Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors 达特神经科学有限公司 2020-05-01 CN claimed
US-20260048059-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANC WIRTH KLAUS (DE) 2026-02-19 US disclosed
EP-4612146-A1 AHR AGONISTS Eli Lilly and Company (US) 2025-09-10 EP disclosed
EP-4572766-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 EP disclosed
US-12319702-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2025-06-03 US disclosed
US-20240199643-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE LLC (US) 2024-06-20 US disclosed
WO-2024097606-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-10 WO disclosed
WO-2024097606-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-10 WO disclosed
WO-2024038090-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109649-A1 ETHER LINKED TRIAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109646-A1 NRF2 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
EP-3181133-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2017-06-21 EP disclosed
EP-2654750-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2017-03-08 EP disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 US 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 (6 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-20240199643-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS PDE7A, PDE7B, PDE8B KEAP1 3617/4885MAPK13 502/4885CSNK1D 817/4885
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors PDE7A, PDE7B, PDE8B KEAP1 3617/4885MAPK13 502/4885CSNK1D 817/4885
US-20260048059-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANC FANCF, EPAS1, PDE4C KEAP1 889/4885MAPK13 1749/4885CSNK1D 3678/4885
US-12319702-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors PDE7A, PDE7B, PDE8B KEAP1 3617/4885MAPK13 502/4885CSNK1D 817/4885
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E KEAP1 1391/4885MAPK13 158/4885CSNK1D 10/4885
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS PDE7A, PDE7B, PDE8B KEAP1 3617/4885MAPK13 502/4885CSNK1D 817/4885

“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.