SCHEMBL853825

SCHEMBL853825

C[Si](C)(C)C#Cc1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.49
CLK4 Q9HAZ1 1/20 0.43
ENPP2 Q13822 1/20 0.41

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
SCHEMBL3614755 0.89 GRM5 (0.39) GRM5
SCHEMBL5775576 0.82 CYP11B1 (0.43) GRM5
SCHEMBL23867871 0.82 APP (0.50) GRM5
SCHEMBL30873480 0.80 GRM5 (0.55) GRM5ENPP2
SCHEMBL853691 0.79 CYP2A6 (0.48) ENPP2
Charcoal, Activated SCHEMBL31286316 0.78 GRM5 (0.53) GRM5ENPP2
SCHEMBL3347354 0.78 GRM5 (0.56) GRM5
SCHEMBL31349195 0.78 GRM5 (0.56) GRM5
SCHEMBL9289 0.78 TSHR (0.61) GRM5CLK4ENPP2
SCHEMBL2817154 0.78 TSHR (0.61) GRM5CLK4ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360104-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2024-10-31 US disclosed
EP-4330253-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-03-06 EP disclosed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US disclosed
WO-2022232088-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-11-03 WO disclosed
US-20220056167-A1 Functionalized Cyclic Polymers and Methods of Preparing Same NATIONAL SCIENCE FOUNDATION 2022-02-24 US disclosed
WO-2020223672-A1 FUNCTIONALIZED CYCLIC POLYMERS AND METHODS OF PREPARING SAME UNIVERSITY OF FLORIDA RESEARCHFOUNDATION, INC. (US) 2020-11-05 WO disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 US disclosed
WO-2006122137-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-16 WO disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 WO disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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 (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-20240360104-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD4, TEAD1, TEAD2 GRM5 4675/4885CLK4 815/4885ENPP2 4110/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 GRM5 1815/4885CLK4 3936/4885ENPP2 1239/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 GRM5 600/4885CLK4 2343/4885ENPP2 1311/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 GRM5 554/4885CLK4 2597/4885ENPP2 1314/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 GRM5 570/4885CLK4 2462/4885ENPP2 1307/4885

“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.