SCHEMBL2965836

SCHEMBL2965836

Brc1ccc2c(c1)C=NC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
PNMT P11086 4/20 0.34
ASIC3 Q9UHC3 1/20 0.34
CHEK2 O96017 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
LTK P29376 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
AURKB Q96GD4 1/20 0.33
PBK Q96KB5 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
METAP1 P53582 1/20 0.32
ADRA2A P08913 3/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32

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
SCHEMBL2145268 0.83 TRPA1 (0.36) TRPA1PNMTASIC3CHEK2ROS1
Hydrochloric Acid SCHEMBL14921733 0.81 TRPA1 (0.35) TRPA1PNMTASIC3METAP1ADRA2A
SCHEMBL6161601 0.79 TRPA1 (0.45) TRPA1PNMTASIC3CHEK2ROS1
Hydrochloric Acid SCHEMBL6962514 0.78 TRPA1 (0.44) TRPA1PNMTASIC3CHEK2ROS1
SCHEMBL18023177 0.74 MAPT (0.35) KDRADRA2A
SCHEMBL19374125 0.70 NPSR1 (0.36) TRPA1
SCHEMBL5072285 0.69 TRPA1 (0.44) TRPA1PNMTASIC3CHEK2ROS1
SCHEMBL15528512 0.69 TRPA1 (0.51) TRPA1PNMTKDM1A
SCHEMBL7341198 0.67 KDM1A (0.40) TRPA1PARP1PARP10KDM1ABRD4
SCHEMBL7680089 0.67 TRPA1 (0.35) TRPA1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20230382912-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-30 US disclosed
US-11814381-B2 Pyrazolopyridine derivative having GLP-1 receptor agonist effect CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-14 US disclosed
US-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2023-05-11 US disclosed
US-9981944-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC (US) 2018-05-29 US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 US disclosed
US-9688654-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US disclosed
US-9543538-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-10 US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 US disclosed
US-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2015-07-09 US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20140045859-A1 Glucokinase Activators TAKEDA CALIFORNIA, INC. (US) 2014-02-13 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
US-20120225887-A1 Glucokinase Activators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-06 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (12 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-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 TRPA1 3359/4885PNMT 4710/4885ASIC3 4007/4885
US-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TRPA1 4474/4885PNMT 4880/4885ASIC3 3418/4885
US-20230382912-A1 PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT GLP1R, GPR119, GIPR TRPA1 93/4885PNMT 2988/4885ASIC3 369/4885
US-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS C5, C9, TFPI TRPA1 839/4885PNMT 1183/4885ASIC3 3759/4885
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 TRPA1 4158/4885PNMT 4020/4885ASIC3 4456/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TRPA1 4474/4885PNMT 4880/4885ASIC3 3418/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TRPA1 438/4885PNMT 2021/4885ASIC3 2874/4885
US-20140045859-A1 Glucokinase Activators GCK, GCKR, GALK1 TRPA1 4472/4885PNMT 4200/4885ASIC3 3184/4885
US-11814381-B2 Pyrazolopyridine derivative having GLP-1 receptor agonist effect GLP1R, GPR119, GIPR TRPA1 173/4885PNMT 2528/4885ASIC3 298/4885
US-20120225887-A1 Glucokinase Activators GCK, GCKR, GALK1 TRPA1 4472/4885PNMT 4200/4885ASIC3 3184/4885
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS MTOR, PIK3R5, PIK3R2 TRPA1 1359/4885PNMT 4118/4885ASIC3 4272/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 TRPA1 3421/4885PNMT 4641/4885ASIC3 1636/4885

“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.