SCHEMBL20162140

SCHEMBL20162140

O=C(Nc1cc2c(cn1)CNCC2)c1cn(Cc2cc(F)c(F)c(F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 4/20 0.38
GSK3B P49841 4/20 0.38
DYRK1A Q13627 4/20 0.38
SCD O00767 1/20 0.36
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36
MAP3K5 Q99683 2/20 0.34
MLNR O43193 1/20 0.34
KLKB1 P03952 4/20 0.33
PTGER1 P34995 2/20 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
SCHEMBL20162145 0.91 SCD (0.39) WNT1GSK3BDYRK1ASCDCLK2
SCHEMBL20162172 0.89 TAS2R8 (0.35) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL20162149 0.86 MAP3K5 (0.34) SCDMAP3K5MLNRKLKB1
SCHEMBL20162167 0.85 MELK (0.46) MLNRKLKB1
Hydrochloric Acid SCHEMBL20162129 0.84 MELK (0.45) MLNRKLKB1
SCHEMBL20169989 0.80 MAP3K5 (0.47) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL20162120 0.80 TAS2R8 (0.49) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL20162118 0.78 TAS2R8 (0.36) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL20367338 0.77 MAP3K5 (0.41) SCDMAP3K5
SCHEMBL20162116 0.77 TAS2R8 (0.39) WNT1GSK3BDYRK1ACLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 US claimed
EP-3560494-A1 DRUG TARGETING CANCER STEM CELL Sumitomo Dainippon Pharma Co., Ltd. (JP) 2019-10-30 EP claimed
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-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
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 WNT1 223/4885GSK3B 3570/4885DYRK1A 2220/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES WNT1 302/4885GSK3B 2967/4885DYRK1A 4348/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 WNT1 704/4885GSK3B 3425/4885DYRK1A 4470/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 WNT1 223/4885GSK3B 3570/4885DYRK1A 2220/4885

“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.