SCHEMBL2715069

SCHEMBL2715069

CCC(=O)Nc1nc(C)cc(C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.54
ADORA3 P0DMS8 9/20 0.51
ADORA2A P29274 5/20 0.51
ADORA1 P30542 5/20 0.51
ADORA2B P29275 4/20 0.51
CYP1A2 P05177 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2715797 0.84 TSHR (0.59) TSHRMAPTADORA3ADORA2AADORA1
SCHEMBL18266634 0.84 MAPT (0.44) TSHRMAPTADORA3ADORA2AADORA1
SCHEMBL27805015 0.83 ADORA1 (0.55) TSHRMAPTADORA3ADORA2AADORA1
SCHEMBL18266629 0.83 MAPT (0.43) TSHRMAPTADORA3ADORA2AADORA1
SCHEMBL2713871 0.81 CYP1A2 (0.58) MAPTADORA3ADORA1CYP1A2SMN1; SMN2
SCHEMBL28945086 0.81 TSHR (0.49) TSHRMAPTADORA3ADORA2AADORA1
SCHEMBL1180020 0.80 KMT2A (0.51) TSHRMAPTCYP1A2SMN1; SMN2KMT2A
SCHEMBL2713671 0.78 ADORA1 (0.51) MAPTADORA3ADORA2AADORA1POLB
SCHEMBL1180441 0.78 MAPT (0.44) TSHRMAPTCYP1A2SMN1; SMN2POLB
SCHEMBL1178661 0.77 KDM4E (0.57) TSHRMAPTSMN1; SMN2KMT2AALDH1A1

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 21 patents — showing the first 20. 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 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
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN 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
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN disclosed
CN-101970430-B Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2013-05-08 CN disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
CN-101970430-A Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-09 CN disclosed
CN-101965346-A Novel pyrimidine-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A TSHR 2692/4885MAPT 2729/4885ADORA3 2236/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A TSHR 574/4885MAPT 3185/4885ADORA3 1859/4885

“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.