SCHEMBL20170020

SCHEMBL20170020

O=C(Nc1cn(Cc2ccc3ccccc3c2)cn1)c1ccc2c(c1)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 6/20 0.49
GSK3B P49841 6/20 0.49
DYRK1A Q13627 6/20 0.49
TAS2R8 Q9NYW2 1/20 0.47
PLAU P00749 2/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
MAP3K5 Q99683 1/20 0.43
PTGER1 P34995 2/20 0.42
TNIK Q9UKE5 2/20 0.41
CYP3A4 P08684 1/20 0.40
DEGS1 O15121 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL20162178 0.86 TAS2R8 (0.48) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20364397 0.86 TAS2R8 (0.52) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20364402 0.86 TAS2R8 (0.48) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20162119 0.86 TAS2R8 (0.45) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20169955 0.86 PTGER1 (0.49) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20364380 0.86 TAS2R8 (0.54) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20364396 0.84 WNT1 (0.49) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20162132 0.84 TAS2R8 (0.49) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20162131 0.84 TAS2R8 (0.46) WNT1GSK3BDYRK1ATAS2R8PLAU
SCHEMBL20162138 0.84 TAS2R8 (0.46) WNT1GSK3BDYRK1ATAS2R8PLAU

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 4 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 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 (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 WNT1 223/4885GSK3B 3570/4885DYRK1A 2220/4885
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.