SCHEMBL5409329

SCHEMBL5409329

Cc1cc(O)cc2cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
FGFR1 P11362 3/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
ACACB O00763 8/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTK2 Q05397 1/20 0.35
IL1B P01584 1/20 0.34

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
SCHEMBL28851098 0.79 FGFR1 (0.39) FGFR1MAPTHTTFGFR2FGFR3
SCHEMBL5771889 0.79 TRPA1 (0.50) TRPA1FGFR1MAPTHTTALDH1A1
SCHEMBL27229480 0.78 TRPA1 (0.49) TRPA1FGFR1MAPTHTTALDH1A1
SCHEMBL18107535 0.76 FGFR1 (0.44) TRPA1FGFR1MAPTFGFR2FGFR3
SCHEMBL202508 0.76 NOS1 (0.46) TRPA1FGFR1MAPTHTTALDH1A1
SCHEMBL1286200 0.76 MAPT (0.52) TRPA1FGFR1MAPTHTTALDH1A1
SCHEMBL21937314 0.76 TRPA1 (0.44) TRPA1FGFR1MAPTHTTALDH1A1
SCHEMBL1145088 0.76 NOS1 (0.46) TRPA1MAPTHTTALDH1A1ACACB
SCHEMBL15759797 0.76 NOS1 (0.46) TRPA1FGFR1MAPTHTTALDH1A1
SCHEMBL32659708 0.76 TRPA1 (0.41) TRPA1FGFR1MAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068389-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
EP-3068389-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
US-9809568-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809568-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20160289207-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-10-06 US disclosed
US-20160289207-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-10-06 US disclosed
EP-3068389-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY Merck Sharp & Dohme Corp. (US) 2016-09-21 EP disclosed
WO-2015073344-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015073344-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20160289207-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 TRPA1 2268/4885FGFR1 794/4885MAPT 358/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA TRPA1 4808/4885FGFR1 1603/4885MAPT 3261/4885

“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.