SCHEMBL20169989

SCHEMBL20169989

O=C(Nc1cn(Cc2cc(F)c(F)c(F)c2)cn1)c1cc2c(cc1F)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.47
TAS2R8 Q9NYW2 1/20 0.36
RIPK1 Q13546 11/20 0.34
MELK Q14680 1/20 0.34
WNT1 P04628 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33

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
SCHEMBL20162172 0.86 TAS2R8 (0.35) MAP3K5TAS2R8RIPK1WNT1GSK3B
SCHEMBL20162120 0.86 TAS2R8 (0.49) MAP3K5TAS2R8MELKWNT1GSK3B
SCHEMBL20330429 0.85 TAS2R8 (0.37) MAP3K5TAS2R8RIPK1MELKWNT1
SCHEMBL20162176 0.83 TAS2R8 (0.40) MAP3K5TAS2R8RIPK1MELKWNT1
SCHEMBL20162116 0.81 TAS2R8 (0.39) MAP3K5TAS2R8RIPK1MELKWNT1
SCHEMBL20162149 0.81 MAP3K5 (0.34) MAP3K5RIPK1MELK
SCHEMBL20162118 0.81 TAS2R8 (0.36) MAP3K5TAS2R8RIPK1WNT1GSK3B
SCHEMBL20162140 0.80 WNT1 (0.38) MAP3K5WNT1GSK3BDYRK1ACLK2
SCHEMBL20169984 0.79 HDAC1 (0.36) TAS2R8RIPK1WNT1GSK3BDYRK1A
SCHEMBL20364342 0.77 MAP3K5 (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 MAP3K5 3026/4885TAS2R8 2479/4885RIPK1 3470/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES MAP3K5 3854/4885TAS2R8 2868/4885RIPK1 3612/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 MAP3K5 2768/4885TAS2R8 2778/4885RIPK1 2464/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 MAP3K5 3026/4885TAS2R8 2479/4885RIPK1 3470/4885

“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.