SCHEMBL6981453

SCHEMBL6981453

CN(C)/C=C/C(=O)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.67
▸ ALDH1A1 P00352 10/20 0.67
▸ HTT P42858 5/20 0.67
▸ HPGD P15428 3/20 0.67
▸ GAA P10253 2/20 0.67
▸ LMNA P02545 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ RECQL P46063 2/20 0.65
▸ KMT2A Q03164 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALPG P10696 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ TLR9 Q9NR96 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51

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
SCHEMBL30227692 1.00 MAPT (0.67) MAPTALDH1A1HTTHPGDGAA
SCHEMBL14811915 1.00 MAPT (0.67) MAPTALDH1A1HTTHPGDGAA
SCHEMBL481196 1.00 MAPT (0.67) MAPTALDH1A1HTTHPGDGAA
SCHEMBL5946453 0.88 MAPT (0.77) MAPTALDH1A1HTTHPGDGAA
SCHEMBL4794028 0.82 RAB9A (0.68) MAPTALDH1A1HTTHPGDGAA
SCHEMBL4794031 0.82 RAB9A (0.68) MAPTALDH1A1HTTHPGDGAA
SCHEMBL5800440 0.81 RECQL (0.71) MAPTALDH1A1HTTHPGDGAA
SCHEMBL9728821 0.81 MAPT (0.69) MAPTALDH1A1HTTHPGDGAA
SCHEMBL2945499 0.81 MAPT (0.69) MAPTALDH1A1HTTHPGDGAA
SCHEMBL22449502 0.81 RECQL (0.71) MAPTALDH1A1HTTHPGDGAA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192240-A Synthesis method of alpha, beta-diphosphorus oxide compound 遵义医科大学 2024-12-27 — — CN disclosed
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
EP-4308095-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF Maze Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 — — US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 — — US disclosed
CN-115215796-B Synthesis method of 3-acyl quinoline compound 江南大学 2023-10-27 — — CN disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 — — CN disclosed
CN-115215796-A Synthetic method of 3-acyl quinoline compound 江南大学 2022-10-21 — — CN disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 — — WO disclosed
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 — — WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 — — EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 — — US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 — — US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 — — EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 — — 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 (3 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL MAPT 370/4885ALDH1A1 2458/4885HTT 2663/4885
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 MAPT 2673/4885ALDH1A1 1540/4885HTT 4553/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 MAPT 2907/4885ALDH1A1 1417/4885HTT 4519/4885

“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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