SCHEMBL20162172

SCHEMBL20162172

O=C(Nc1cn(Cc2cc(F)c(F)c(F)c2)cn1)c1cc2c(cn1)CNCC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.35
MLNR O43193 1/20 0.35
MAP3K5 Q99683 3/20 0.34
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
RIPK1 Q13546 8/20 0.34
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL20162140 0.89 WNT1 (0.38) MLNRMAP3K5WNT1GSK3BDYRK1A
SCHEMBL20169989 0.86 MAP3K5 (0.47) TAS2R8MAP3K5WNT1GSK3BDYRK1A
SCHEMBL20162120 0.85 TAS2R8 (0.49) TAS2R8MAP3K5WNT1GSK3BDYRK1A
SCHEMBL20162118 0.84 TAS2R8 (0.36) TAS2R8MLNRMAP3K5WNT1GSK3B
SCHEMBL20364372 0.83 TAS2R8 (0.41) TAS2R8MAP3K5WNT1GSK3BDYRK1A
SCHEMBL20162116 0.83 TAS2R8 (0.39) TAS2R8MAP3K5WNT1GSK3BDYRK1A
SCHEMBL20162147 0.83 CYP3A4 (0.43) RIPK1
SCHEMBL20162176 0.82 TAS2R8 (0.40) TAS2R8MAP3K5WNT1GSK3BDYRK1A
SCHEMBL20330429 0.81 TAS2R8 (0.37) TAS2R8MAP3K5WNT1GSK3BDYRK1A
SCHEMBL20162149 0.80 MAP3K5 (0.34) MLNRMAP3K5RIPK1

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 12 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-11434472-B2 Agent for removing undifferentiated iPS cells Sumitomo Pharma Co., Ltd. (JP) 2022-09-06 US disclosed
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 US disclosed
EP-3560494-A1 DRUG TARGETING CANCER STEM CELL Sumitomo Dainippon Pharma Co., Ltd. (JP) 2019-10-30 EP disclosed
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
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
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 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 (4 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 2479/4885MLNR 4259/4885MAP3K5 3026/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES TAS2R8 2868/4885MLNR 4408/4885MAP3K5 3854/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 TAS2R8 2778/4885MLNR 3939/4885MAP3K5 2768/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885MLNR 4259/4885MAP3K5 3026/4885

“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.