SCHEMBL20162162

SCHEMBL20162162

O=C(Nc1cn(Cc2ccc(Cl)c(F)c2)cn1)c1cnc2c(c1)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.38
CDK9 P50750 1/20 0.36
MAOB P27338 1/20 0.35
MAPK7 Q13164 1/20 0.35
WNT1 P04628 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RIPK1 Q13546 4/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
PTGER1 P34995 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CDK5 Q00535 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
SCHEMBL20162175 0.92 TAS2R8 (0.39) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162174 0.90 HTR2C (0.43) TAS2R8WNT1GSK3BDYRK1ACLK2
SCHEMBL20162161 0.90 RIPK1 (0.40) TAS2R8RIPK1PTGDR2
SCHEMBL20162116 0.89 TAS2R8 (0.39) TAS2R8CDK9WNT1GSK3BDYRK1A
SCHEMBL20162131 0.88 TAS2R8 (0.46) TAS2R8MAOBWNT1GSK3BDYRK1A
SCHEMBL20162126 0.87 RIPK1 (0.39) TAS2R8RIPK1
SCHEMBL20162155 0.87 TAS2R8 (0.40) TAS2R8CDK9WNT1GSK3BDYRK1A
SCHEMBL20169996 0.86 HTR2C (0.46) TAS2R8CDK9HTR2CHTR2BRIPK1
SCHEMBL20162143 0.86 TAS2R8 (0.37) TAS2R8CDK9WNT1GSK3BDYRK1A
SCHEMBL20162150 0.86 HTR2C (0.46) TAS2R8HTR2CHTR2BRIPK1

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-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-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
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 TAS2R8 2479/4885CDK9 1259/4885MAOB 2529/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885CDK9 1259/4885MAOB 2529/4885

“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.