SCHEMBL20595168

SCHEMBL20595168

O=C(NCCOc1ccc(OC(F)(F)F)c(F)c1)c1ccnc(NC(=O)C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.46
BRAF P15056 9/20 0.46
ABL1 P00519 1/20 0.40
GSK3B P49841 2/20 0.39
TYK2 P29597 1/20 0.39
P2RX7 Q99572 3/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL22797768 0.88 KDR (0.41) KDRBRAFABL1TYK2P2RX7
SCHEMBL22798307 0.85 GSK3B (0.42) KDRBRAFGSK3BTYK2GSK3A
SCHEMBL2716902 0.85 P2RX7 (0.51) KDRBRAFP2RX7
SCHEMBL20595208 0.84 KDR (0.53) KDRBRAFGSK3BGSK3A
SCHEMBL20595235 0.84 KDR (0.44) KDRBRAF
SCHEMBL2715423 0.80 KDR (0.47) KDRBRAFGSK3BGSK3A
SCHEMBL2714443 0.80 KDR (0.47) KDRBRAFP2RX7
SCHEMBL22798296 0.79 KDR (0.45) KDRBRAFABL1
SCHEMBL22797751 0.78 MEN1 (0.48) KDRBRAF
SCHEMBL20595227 0.78 KMT2A (0.41) KDRBRAFGSK3B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN claimed
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US claimed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP claimed
CN-110612285-A Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2019-12-24 CN claimed
EP-3487839-A1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RaQualia Pharma Inc. (JP) 2019-05-29 EP claimed
WO-2018235851-A1 AMIDE DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS RAQUALIA PHARMA INC. (JP) 2018-12-27 WO claimed
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed
CN-110612285-A Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2019-12-24 CN disclosed
EP-3487839-A1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RaQualia Pharma Inc. (JP) 2019-05-29 EP disclosed
WO-2018235851-A1 AMIDE DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS RAQUALIA PHARMA INC. (JP) 2018-12-27 WO 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 (1 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A KDR 4122/4885BRAF 1661/4885ABL1 2822/4885

“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.