SCHEMBL20162134

SCHEMBL20162134

C[Si](C)(C)CCOCn1cnc(NC(=O)c2cnc3c(c2)CCN(C(=O)O)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.37
WNT1 P04628 3/20 0.31
GSK3B P49841 3/20 0.31
DYRK1A Q13627 3/20 0.31
MAP3K5 Q99683 3/20 0.30
RIPK1 Q13546 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 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
SCHEMBL20364365 0.90 MAP3K5 (0.36) TAS2R8MAP3K5
SCHEMBL20162127 0.88 TAS2R8 (0.47) TAS2R8WNT1GSK3BDYRK1AMAP3K5
SCHEMBL20169969 0.78 ESR2 (0.46) TAS2R8WNT1GSK3BDYRK1AMAP3K5
SCHEMBL20162154 0.76 MAP3K5 (0.37) MAP3K5
SCHEMBL20364368 0.75 MAP3K5 (0.40) TAS2R8MAP3K5
SCHEMBL20162123 0.71 WNT1 (0.35) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL19304330 0.71 KMT2A (0.49)
SCHEMBL14858625 0.71 MAP3K5 (0.37) MAP3K5RIPK1
SCHEMBL20364335 0.70 MAP3K5 (0.38) TAS2R8MAP3K5RIPK1
SCHEMBL20364366 0.70 MAPT (0.41) MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885WNT1 223/4885GSK3B 3570/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885WNT1 223/4885GSK3B 3570/4885

“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.