SCHEMBL29524299

SCHEMBL29524299

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 1.00
▸ KCNH2 Q12809 2/20 1.00
▸ ABCG2 Q9UNQ0 2/20 1.00
▸ ADORA2A P29274 2/20 0.89
▸ ADORA1 P30542 5/20 0.84
▸ SLC6A2 P23975 1/20 0.76
▸ SLC6A3 Q01959 1/20 0.76

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
SCHEMBL16361558 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL21779332 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL10322552 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL20122178 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL16774365 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19464922 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL31061297 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19459897 0.95 ADORA3 (0.91) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19799157 0.95 ADORA3 (0.91) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19464859 0.94 ADORA3 (0.89) ADORA3KCNH2ABCG2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186486-A1 POTENTIATION OF DURABLE ANTITUMOR IMMUNITY BY MULTIFACTORIAL IMMUNE MODULATION BAYLOR COLLEGE OF MEDICINE (US) 2025-06-12 — — US claimed
EP-4493166-A1 POTENTIATION OF DURABLE ANTITUMOR IMMUNITY BY MULTIFACTORIAL IMMUNE MODULATION Baylor College of Medicine (US) 2025-01-22 — — EP claimed
CN-119278032-A Enhancement of persistent antitumor immunity by multifactorial immunomodulation 贝勒医学院 2025-01-07 — — CN claimed
WO-2023177870-A1 POTENTIATION OF DURABLE ANTITUMOR IMMUNITY BY MULTIFACTORIAL IMMUNE MODULATION BAYLOR COLLEGE OF MEDICINE (US) 2023-09-21 — — WO claimed
US-20250345353-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2025-11-13 — — US disclosed
EP-4611724-A1 COMPOSITIONS FOR INTRAVENOUS ADMINISTRATION Astrocyte Pharmaceuticals, Inc. (US) 2025-09-10 — — EP disclosed
EP-4611765-A2 FAST-DISSOLVING DOSAGE FORMS AND USES THEREOF Astrocyte Pharmaceuticals, Inc. (US) 2025-09-10 — — EP disclosed
US-12397010-B2 Treatment of chronic headaches SAINT LOUIS UNIVERSITY (US) 2025-08-26 — — US disclosed
US-12390483-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2025-08-19 — — US disclosed
US-20250186486-A1 POTENTIATION OF DURABLE ANTITUMOR IMMUNITY BY MULTIFACTORIAL IMMUNE MODULATION BAYLOR COLLEGE OF MEDICINE (US) 2025-06-12 — — US disclosed
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2025-06-05 — — US disclosed
US-12239654-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2025-03-04 — — US disclosed
CN-110003212-B A3 adenosine receptor agonists 美国卫生和人力服务部 2022-12-06 — — CN disclosed
WO-2022232810-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-03 — — WO disclosed
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-01 — — US disclosed
US-20220305044-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-09-29 — — US disclosed
CN-114903903-A Compounds and methods for treating neurological and cardiovascular conditions 阿斯特罗赛特制药公司 2022-08-16 — — CN disclosed
US-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE SAINT LOUIS UNIVERSITY 2022-07-14 — — US disclosed
US-20220117985-A1 TREATMENT OF CHRONIC HEADACHES UNIVERSITY OF MARYLAND, BALTIMORE 2022-04-21 — — US disclosed
CN-109310695-B Compounds and methods for treating neurological and cardiovascular conditions 阿斯特罗赛特制药公司 2022-04-01 — — CN 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 (9 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-12390483-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885KCNH2 681/4885ABCG2 1912/4885
US-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE ADORA3, ADORA2A, ADORA1 ADORA3 1/4885KCNH2 3479/4885ABCG2 516/4885
US-20250345353-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885KCNH2 681/4885ABCG2 1912/4885
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885KCNH2 681/4885ABCG2 1912/4885
US-20220305044-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885KCNH2 681/4885ABCG2 1912/4885
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885KCNH2 1268/4885ABCG2 549/4885
US-12239654-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885KCNH2 681/4885ABCG2 1912/4885
US-20220117985-A1 TREATMENT OF CHRONIC HEADACHES ADORA3, ADORA2B, ADORA2A ADORA3 1/4885KCNH2 436/4885ABCG2 1223/4885
US-12397010-B2 Treatment of chronic headaches ADORA3, ADORA2B, ADORA2A ADORA3 1/4885KCNH2 436/4885ABCG2 1223/4885

“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.

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