SCHEMBL2160719

SCHEMBL2160719

C[Si](C)(C)C#Cc1cncnc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.50
HDAC8 Q9BY41 1/20 0.30
ADK P55263 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
SCHEMBL4251951 0.80 GRM5 (0.50) GRM5
SCHEMBL22531723 0.80 GRM5 (0.38) GRM5
SCHEMBL935756 0.78 GRM5 (0.34) GRM5
SCHEMBL13907283 0.78 GRM5 (0.70) GRM5ADK
SCHEMBL23235334 0.76 GRM5 (0.31) GRM5
SCHEMBL1349094 0.76 HSP90AA1 (0.35) GRM5
SCHEMBL2515112 0.76 GRM5 (0.34) GRM5
SCHEMBL14299556 0.76 GRM5 (0.31) GRM5
SCHEMBL9956785 0.75 GRM5 (0.50) GRM5
SCHEMBL11384 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183449-A Mnk inhibitors and methods related thereto 效应治疗股份有限公司 2019-08-30 CN disclosed
CN-106795162-B Mnk inhibitors and methods related thereto 效应治疗股份有限公司 2019-07-16 CN disclosed
US-9938281-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
CN-106795162-A Mnk inhibitors and methods related thereto 效应治疗股份有限公司 2017-05-31 CN disclosed
CN-104918940-B Purine inhibitors of human phosphatidylinositol 3-kinase 默沙东公司 2017-03-08 CN disclosed
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS WOLTERING THOMAS (US) 2015-12-31 US disclosed
EP-2948446-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-12-02 EP disclosed
CN-104968660-A Fluoro-[1,3]oxazines as BACE1 inhibitors HOFFMANN LA ROCHE 2015-10-07 CN disclosed
US-20050261331-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-11-24 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1539757-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2004016609-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
US-4719214-A HERPES VIRUS SOUTHERN RESEARCH INSTITUTE (US) 1988-01-12 US 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-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 GRM5 478/4885HDAC8 1609/4885ADK 2815/4885
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 GRM5 1713/4885HDAC8 1076/4885ADK 1578/4885
US-20050261331-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 GRM5 3432/4885HDAC8 2360/4885ADK 229/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 GRM5 610/4885HDAC8 2097/4885ADK 1364/4885
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA GRM5 3472/4885HDAC8 4827/4885ADK 10/4885

“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.