Sugi Predict

Sugi Predict / Compounds / SCHEMBL5396138

SCHEMBL5396138

SCHEMBL5396138

Cc1cccc(C(N)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.44
▸ ACP3 P15309 1/20 0.43
▸ ACHE P22303 2/20 0.42
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ CFD P00746 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ TPSB2 P20231 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36

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
SCHEMBL18765644 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
SCHEMBL29398801 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
SCHEMBL30559594 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
SCHEMBL4598026 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
Hydrochloric Acid SCHEMBL18766163 0.98 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
Hydrochloric Acid SCHEMBL29676676 0.98 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
Hydrochloric Acid SCHEMBL18766165 0.98 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
SCHEMBL24527613 0.86 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
SCHEMBL4172487 0.82 AOC3 (0.45) AOC3ACP3ACHEANPEPENPEP
SCHEMBL4277230 0.82 AOC3 (0.45) AOC3ACP3ACHETAAR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 — — US claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 — — US claimed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 — — US disclosed
CN-113544131-B Pyrrolo-heterocyclic derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-03-15 — — CN disclosed
CN-113518779-B Thieno heterocyclic derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-03-15 — — CN disclosed
CN-113825757-B Substituted fused bicyclic derivatives, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-10-20 — — CN disclosed
US-20230312564-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2023-10-05 — — US disclosed
CN-116829726-A Biological production of enantiomerically pure (R) -and (S) -2-phenylglycinol from styrene and renewable raw materials by artificial enzyme cascade 新加坡国立大学 2023-09-29 — — CN disclosed
CN-114075196-B Aromatic ring lactam compound, preparation method and application thereof 上海凌达生物医药有限公司 2023-09-15 — — CN disclosed
CN-108617166-A Protein Kinase Inhibitor Benzolactam Compounds 大冢制药株式会社 2018-10-02 — — CN disclosed
EP-3365334-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2018-08-29 — — EP disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 — — WO disclosed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 — — US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 — — US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 — — US disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 — — EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 — — 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 (5 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-20230312564-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, WASF2 AOC3 4038/4885ACP3 4602/4885ACHE 3849/4885
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 AOC3 3495/4885ACP3 3083/4885ACHE 4242/4885
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 AOC3 1363/4885ACP3 3732/4885ACHE 4750/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 AOC3 3969/4885ACP3 2828/4885ACHE 4049/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 AOC3 3969/4885ACP3 2828/4885ACHE 4049/4885

“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.