SCHEMBL20162131

SCHEMBL20162131

O=C(Nc1cn(Cc2ccc(Cl)c(F)c2)cn1)c1ccc2c(c1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.46
WNT1 P04628 5/20 0.44
GSK3B P49841 5/20 0.44
DYRK1A Q13627 5/20 0.44
PTGER1 P34995 3/20 0.44
CYP3A4 P08684 1/20 0.43
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
MELK Q14680 1/20 0.39
SLC2A1 P11166 1/20 0.39
MAP3K5 Q99683 1/20 0.39
MAOB P27338 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37

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
SCHEMBL20162138 0.93 TAS2R8 (0.46) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162178 0.92 TAS2R8 (0.48) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162120 0.89 TAS2R8 (0.49) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162164 0.89 TAS2R8 (0.44) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162162 0.88 TAS2R8 (0.38) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162122 0.87 TAS2R8 (0.47) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162132 0.87 TAS2R8 (0.49) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20162113 0.86 TAS2R8 (0.45) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20169955 0.86 PTGER1 (0.49) TAS2R8WNT1GSK3BDYRK1APTGER1
SCHEMBL20364397 0.85 TAS2R8 (0.52) TAS2R8WNT1GSK3BDYRK1APTGER1

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 6 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 claimed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US claimed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP claimed
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.