SCHEMBL20162161

SCHEMBL20162161

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.40
TAS2R8 Q9NYW2 1/20 0.36
FAAH O00519 1/20 0.36
SCD O00767 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL20162126 0.91 RIPK1 (0.39) RIPK1TAS2R8
SCHEMBL20162162 0.90 TAS2R8 (0.38) RIPK1TAS2R8PTGDR2
SCHEMBL20162150 0.89 HTR2C (0.46) RIPK1TAS2R8
SCHEMBL20162164 0.89 TAS2R8 (0.44) RIPK1TAS2R8PTGDR2HDAC8HDAC6
SCHEMBL20162174 0.88 HTR2C (0.43) RIPK1TAS2R8
SCHEMBL20162110 0.85 KDM4C (0.45) TAS2R8SCDHDAC6
SCHEMBL20162175 0.85 TAS2R8 (0.39) RIPK1TAS2R8
SCHEMBL20169996 0.84 HTR2C (0.46) RIPK1TAS2R8
SCHEMBL20162155 0.83 TAS2R8 (0.40) RIPK1TAS2R8
SCHEMBL20162143 0.83 TAS2R8 (0.37) RIPK1TAS2R8

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 RIPK1 3470/4885TAS2R8 2479/4885FAAH 4029/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 RIPK1 3470/4885TAS2R8 2479/4885FAAH 4029/4885

“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.