SCHEMBL5652916

SCHEMBL5652916

COc1ccc(C#C[Si](C)(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
ACACB O00763 3/20 0.44
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
HAO1 Q9UJM8 2/20 0.41
NNMT P40261 1/20 0.40
CYP2A6 P11509 2/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL31134314 1.00 GRM5 (0.53) GRM5ACACBPIK3CAMTORHAO1
SCHEMBL22066488 0.82 ACACB (0.49) GRM5ACACB
SCHEMBL17761625 0.81 GRM5 (0.55) GRM5ACACBPIK3CAMTORHAO1
SCHEMBL22031558 0.79 GRM5 (0.54) GRM5ACACBPIK3CAMTORHAO1
SCHEMBL6821195 0.78 GRM5 (0.56) GRM5ACACBPIK3CAMTORHAO1
SCHEMBL27960959 0.77 ACACB (0.40) ACACBHAO1NNMT
SCHEMBL30977145 0.77 GABRA1 (0.34) GRM5CYP2A6
SCHEMBL2516789 0.77 GABRA1 (0.34) GRM5CYP2A6
SCHEMBL6817623 0.76 GRM5 (0.55) GRM5ACACBPIK3CAMTORHAO1
SCHEMBL28420312 0.76 GRM5 (0.51) GRM5ACACBPIK3CAMTORHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620945-A RET inhibitor, pharmaceutical composition thereof and application thereof in medicines 广东东阳光药业有限公司 2021-11-09 CN disclosed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO disclosed
WO-2004016605-A1 2-AMINOPYRIMIDINE DERIVATIVES AS ADENOSINE A1 AND A2A RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-26 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 (1 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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ GRM5 2160/4885ACACB 1590/4885PIK3CA 466/4885

“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.