SCHEMBL20169955

SCHEMBL20169955

O=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.49
TAS2R8 Q9NYW2 1/20 0.47
WNT1 P04628 3/20 0.46
GSK3B P49841 3/20 0.46
DYRK1A Q13627 3/20 0.46
MAP3K5 Q99683 1/20 0.43
SLC2A1 P11166 2/20 0.42
CYP3A4 P08684 1/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42
ROCK2 O75116 2/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NAMPT P43490 1/20 0.41
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 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
SCHEMBL20162132 0.92 TAS2R8 (0.49) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20364402 0.90 TAS2R8 (0.48) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20364380 0.89 TAS2R8 (0.54) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20162122 0.89 TAS2R8 (0.47) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20162178 0.88 TAS2R8 (0.48) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20169996 0.88 HTR2C (0.46) PTGER1TAS2R8HTR2CHTR2BNAMPT
SCHEMBL20162138 0.88 TAS2R8 (0.46) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20162177 0.87 KDM4C (0.46) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20364400 0.87 TAS2R8 (0.47) PTGER1TAS2R8WNT1GSK3BDYRK1A
SCHEMBL20162119 0.86 TAS2R8 (0.45) PTGER1TAS2R8WNT1GSK3BDYRK1A

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 PTGER1 478/4885TAS2R8 2479/4885WNT1 223/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 PTGER1 478/4885TAS2R8 2479/4885WNT1 223/4885

“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.