SCHEMBL20162126

SCHEMBL20162126

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.39
CYP3A4 P08684 1/20 0.37
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
VNN1 O95497 3/20 0.36
NR3C2 P08235 1/20 0.35

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
SCHEMBL20162161 0.91 RIPK1 (0.40) RIPK1TAS2R8
SCHEMBL20162175 0.91 TAS2R8 (0.39) RIPK1TAS2R8
SCHEMBL20162113 0.89 TAS2R8 (0.45) RIPK1CYP3A4SLC6A9KCNH2SLC6A5
SCHEMBL20162150 0.88 HTR2C (0.46) RIPK1TAS2R8
SCHEMBL20162174 0.87 HTR2C (0.43) RIPK1TAS2R8
SCHEMBL20162162 0.87 TAS2R8 (0.38) RIPK1TAS2R8
SCHEMBL20162110 0.86 KDM4C (0.45) CYP3A4KCNH2TAS2R8
SCHEMBL20162116 0.86 TAS2R8 (0.39) RIPK1TAS2R8
SCHEMBL20162155 0.85 TAS2R8 (0.40) RIPK1TAS2R8
SCHEMBL20169996 0.83 HTR2C (0.46) 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 3470/4885CYP3A4 1261/4885SLC6A9 4268/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 RIPK1 3470/4885CYP3A4 1261/4885SLC6A9 4268/4885

“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.