SCHEMBL20162160

SCHEMBL20162160

O=C(Nc1cn(Cc2cc(Cl)cc(OC(F)(F)F)c2)cn1)c1cnc2c(c1)CCNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
HTR2C P28335 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.34
PTGER1 P34995 2/20 0.34
RIPK1 Q13546 4/20 0.33
DDR1 Q08345 1/20 0.33
WNT1 P04628 3/20 0.33
GSK3B P49841 3/20 0.33
DYRK1A Q13627 3/20 0.33
CLK2 P49760 2/20 0.33
CLK3 P49761 2/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32
ABL1 P00519 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
SCHEMBL20162139 0.88 SCD (0.51) SCDHTR2CTAS2R8ENPP2ABL1
SCHEMBL20162128 0.88 PTGER1 (0.44) SCDTAS2R8PTGER1WNT1GSK3B
SCHEMBL20162143 0.88 TAS2R8 (0.37) HTR2CTAS2R8PTGER1RIPK1WNT1
SCHEMBL20162174 0.85 HTR2C (0.43) HTR2CTAS2R8PTGER1RIPK1WNT1
SCHEMBL20162155 0.83 TAS2R8 (0.40) TAS2R8PTGER1RIPK1WNT1GSK3B
SCHEMBL20162150 0.83 HTR2C (0.46) HTR2CTAS2R8RIPK1
SCHEMBL20169996 0.83 HTR2C (0.46) HTR2CTAS2R8PTGER1RIPK1
SCHEMBL20162116 0.82 TAS2R8 (0.39) TAS2R8PTGER1RIPK1WNT1GSK3B
SCHEMBL20162161 0.81 RIPK1 (0.40) SCDHDAC6TAS2R8RIPK1
SCHEMBL20162175 0.81 TAS2R8 (0.39) HTR2CTAS2R8PTGER1RIPK1WNT1

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 SCD 4699/4885HTR2C 1471/4885HDAC3 71/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 SCD 4699/4885HTR2C 1471/4885HDAC3 71/4885

“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.