SCHEMBL20524367

SCHEMBL20524367

Cn1cc(C2CC2C(N)=O)cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
MAP4K1 Q92918 16/20 0.42
MAOA P21397 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL18707129 0.85 HRH3 (0.59) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL21334459 0.85 HRH3 (0.59) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL31081530 0.85 HRH3 (0.59) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL22885894 0.85 HRH3 (0.59) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL18707030 0.85 HRH3 (0.59) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL21334989 0.81 HRH3 (0.56) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL21334463 0.81 HRH3 (0.63) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL21093378 0.81 HRH3 (0.56) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL21093383 0.81 HRH3 (0.56) HRH3MAP4K1MAOAHDAC3HDAC4
SCHEMBL18706539 0.78 HRH3 (0.53) HRH3MAP4K1MAOAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408427-A1 SYSTEM AND METHOD FOR STATIC AND DYNAMIC MRI SHIMMING Merck Sharp & Dohme LLC (US) 2024-08-07 EP claimed
EP-4217358-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1st Biotherapeutics, Inc. (KR) 2023-08-02 EP claimed
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN claimed
WO-2023055679-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-06 WO claimed
WO-2022064458-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1ST Biotherapeutics, Inc. (KR) 2022-03-31 WO claimed
US-12516039-B2 N-linked isoquinoline amides as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-01-06 US disclosed
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
EP-4408427-A1 SYSTEM AND METHOD FOR STATIC AND DYNAMIC MRI SHIMMING Merck Sharp & Dohme LLC (US) 2024-08-07 EP disclosed
US-20230406844-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-20230295119-A1 SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES GOSSAMER BIO SERVICES INC (US) 2023-09-21 US disclosed
WO-2023055679-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-06 WO disclosed
CN-115702145-A Substituted pyridines for the treatment of inflammatory diseases 戈萨默生物服务公司 2023-02-14 CN disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 CN disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 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 (4 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-20230295119-A1 SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES IRAK3, TYK2, IRAK2 HRH3 165/4885MAP4K1 142/4885MAOA 2427/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 HRH3 271/4885MAP4K1 46/4885MAOA 4475/4885
US-20230406844-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 HRH3 592/4885MAP4K1 166/4885MAOA 1876/4885
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 HRH3 675/4885MAP4K1 147/4885MAOA 1580/4885

“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.