SCHEMBL20162176

SCHEMBL20162176

O=C(Nc1cn(Cc2cc(F)c(F)c(F)c2)cn1)c1cc(F)c2c(c1)CCNC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.40
WNT1 P04628 3/20 0.35
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
CLK2 P49760 2/20 0.35
CLK3 P49761 2/20 0.35
NTRK1 P04629 1/20 0.34
MELK Q14680 1/20 0.34
RIPK1 Q13546 7/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
AURKA O14965 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PTGER1 P34995 2/20 0.32
P2RY14 Q15391 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
SCHEMBL20162120 0.88 TAS2R8 (0.49) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162116 0.87 TAS2R8 (0.39) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20169989 0.83 MAP3K5 (0.47) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162156 0.83 TAS2R8 (0.38) TAS2R8NTRK1RIPK1P2RY14
SCHEMBL20162172 0.82 TAS2R8 (0.35) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL21518096 0.82 TAS2R8 (0.43) TAS2R8NTRK1RIPK1PSEN1PSEN2
SCHEMBL20330429 0.81 TAS2R8 (0.37) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162155 0.79 TAS2R8 (0.40) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162118 0.79 TAS2R8 (0.36) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162175 0.78 TAS2R8 (0.39) TAS2R8WNT1GSK3BDYRK1ACLK2

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 13 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
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
WO-2018117196-A1 DRUG TARGETING CANCER STEM CELL 大日本住友製薬株式会社 2018-06-28 WO disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP 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 2479/4885WNT1 223/4885GSK3B 3570/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES TAS2R8 2868/4885WNT1 302/4885GSK3B 2967/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 TAS2R8 2778/4885WNT1 704/4885GSK3B 3425/4885
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.