SCHEMBL4637898

SCHEMBL4637898

C[Si](C)(C)C#Cc1cnccn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.49
HSP90AA1 P07900 1/20 0.34
HAO1 Q9UJM8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL15870932 0.81 GRM5 (0.59) GRM5HSP90AA1HAO1KDM4ENAPRT
SCHEMBL31286309 0.81 GRM5 (0.59) GRM5HSP90AA1HAO1KDM4ENAPRT
SCHEMBL30206276 0.78 GRM5 (0.45) GRM5HSP90AA1KDM4E
SCHEMBL29994137 0.77
SCHEMBL15870983 0.77
SCHEMBL22548041 0.76 GRM5 (0.41) GRM5HAO1
SCHEMBL31398425 0.73
SCHEMBL28806725 0.73
SCHEMBL16115141 0.73
SCHEMBL27790282 0.73

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-10941132-B2 Pyrazole derivatives HUA MEDICINE (SHANGHAI) LTD. (CN) 2021-03-09 US disclosed
CN-110194770-A Peptide acyl arginine deiminase inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-09-03 CN disclosed
CN-110117285-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2019-08-13 CN disclosed
US-20190002432-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2019-01-03 US disclosed
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
CN-108727369-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2018-11-02 CN disclosed
CN-104370909-B Tricyclic compound ABBVIE 公司 2018-09-11 CN disclosed
CN-104884059-B Mixing pedigree kinase inhibitor for HIV/AIDS treatments 罗切斯特大学 2018-08-10 CN disclosed
CN-108218873-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2018-06-29 CN disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
EP-1214303-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001016121-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2001-03-08 WO disclosed
US-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 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 (2 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-10941132-B2 Pyrazole derivatives GRM5, GRIK5, GRIN2C GRM5 1/4885HSP90AA1 2413/4885HAO1 4141/4885
US-20190002432-A1 PYRAZOLE DERIVATIVES GRM5, GRIK5, GRIN2C GRM5 1/4885HSP90AA1 2413/4885HAO1 4141/4885

“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.