Sugi Predict

Sugi Predict / Compounds / SCHEMBL3408002

SCHEMBL3408002

SCHEMBL3408002

COC(=O)c1cc(Cl)c(OC)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LCK P06239 1/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42

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
SCHEMBL10709062 0.84 KMO (0.55) MAPK1STAT3GRM4KDM4EALOX15
SCHEMBL17440116 0.84 GABRA1 (0.47) GAANOTUMALDH1A1CYP1A2GABRP
SCHEMBL19835436 0.84 MAPK1 (0.50) MAPK1MRGPRX4NOTUMALDH1A1LCK
SCHEMBL31224184 0.83 ALDH1A1 (0.49) ALDH1A1STAT3GRM4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11809182 0.83 KMO (0.40) ALDH1A1STAT3GRM4CYP1A2CYP3A4
SCHEMBL23704656 0.81 MAPK1 (0.47) MAPK1MRGPRX4ALDH1A1LCKGRM4
SCHEMBL9318957 0.81 KDM4E (0.47) MAPK1GAAALDH1A1LCKCYP1A2
SCHEMBL21873493 0.81 LCK (0.53) MAPK1MRGPRX4GAANOTUMALDH1A1
SCHEMBL30031450 0.81 MAPK1 (0.47) MAPK1MRGPRX4NOTUMALDH1A1LCK
SCHEMBL3936135 0.81 MAPK1 (0.47) MAPK1MRGPRX4NOTUMALDH1A1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. 2025-09-18 — — US disclosed
US-12378256-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-08-05 — — US disclosed
EP-4519251-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE Esperion Therapeutics, Inc. (US) 2025-03-12 — — EP disclosed
CN-119137107-A Macrocyclic inhibitors of ATP citrate lyase 艾斯柏伦治疗公司 2024-12-13 — — CN disclosed
WO-2023215220-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2023-11-09 — — WO disclosed
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 — — EP disclosed
CN-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 — — CN disclosed
US-11236099-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-01 — — US disclosed
US-20220017530-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 — — US disclosed
US-20210139491-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 — — US disclosed
CN-110709401-A Heterocyclic compounds 武田药品工业株式会社 2020-01-17 — — CN disclosed
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — EP disclosed
CN-102015695-B Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD 2014-08-27 — — CN disclosed
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 — — US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 — — EP disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 — — US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 — — EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 — — 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 (7 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-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 MAPK1 708/4885MRGPRX4 948/4885GAA 3034/4885
US-20220017530-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP MAPK1 1125/4885MRGPRX4 422/4885GAA 2370/4885
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 MAPK1 1263/4885MRGPRX4 74/4885GAA 4167/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP MAPK1 1125/4885MRGPRX4 422/4885GAA 2370/4885
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ACLY, CS, ATP5ME MAPK1 3144/4885MRGPRX4 4119/4885GAA 43/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP MAPK1 1125/4885MRGPRX4 422/4885GAA 2370/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP MAPK1 1125/4885MRGPRX4 422/4885GAA 2370/4885

“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.