SCHEMBL20162156

SCHEMBL20162156

O=C(Nc1cn(Cc2cc(F)c(F)c(F)c2)cn1)c1cc(F)c2c(c1)CCN(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NTRK1 P04629 1/20 0.36
KDM4C Q9H3R0 4/20 0.33
KDM5A P29375 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
KDM4A O75164 2/20 0.33
RIPK1 Q13546 10/20 0.33
P2RY14 Q15391 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL20364341 0.88 MAP3K5 (0.38) TAS2R8HDAC6NTRK1
SCHEMBL20162176 0.83 TAS2R8 (0.40) TAS2R8NTRK1RIPK1P2RY14
SCHEMBL21518096 0.78 TAS2R8 (0.43) TAS2R8NTRK1KDM4CKDM5AKDM5B
SCHEMBL20162136 0.77 HDAC1 (0.41) TAS2R8HDAC6
SCHEMBL20162146 0.77 TAS2R8 (0.51) TAS2R8HDAC6KDM4CKDM5AKDM5B
SCHEMBL20364337 0.76 ESR2 (0.46) TAS2R8HDAC6
SCHEMBL20364335 0.75 MAP3K5 (0.38) TAS2R8RIPK1
SCHEMBL20162120 0.75 TAS2R8 (0.49) TAS2R8
SCHEMBL21518085 0.74 TAS2R8 (0.48) TAS2R8NTRK1RIPK1P2RY14
SCHEMBL20162148 0.74 RBP4 (0.34) KDM4CKDM5AKDM5BKDM4ARIPK1

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 3 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
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 2479/4885HDAC6 188/4885NTRK1 756/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885HDAC6 188/4885NTRK1 756/4885

“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.