SCHEMBL17059246

SCHEMBL17059246

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(N2CCCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.57
ALK Q9UM73 5/20 0.49
INSR P06213 5/20 0.49
ZAP70 P43403 2/20 0.47
EGFR P00533 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IGF1R P08069 1/20 0.43

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
SCHEMBL17059173 0.97 LRRK2 (0.56) LRRK2ALKINSRZAP70EGFR
SCHEMBL17059199 0.85 EGFR (0.52) LRRK2ALKINSREGFR
SCHEMBL17059187 0.84 EGFR (0.55) LRRK2ALKINSREGFR
SCHEMBL28053860 0.83 ALK (0.76) LRRK2ALKINSRZAP70EGFR
SCHEMBL17059196 0.81 EGFR (0.52) LRRK2ALKINSREGFR
SCHEMBL17059310 0.81 LRRK2 (0.49) LRRK2ALKINSREGFRIGF1R
SCHEMBL28414156 0.80 INSR (0.46) LRRK2ALKINSRZAP70EGFR
SCHEMBL29242504 0.79 EGFR (0.51) LRRK2ALKEGFRNPC1RAB9A
SCHEMBL29038912 0.78 EGFR (0.43) LRRK2ALKINSRZAP70EGFR
SCHEMBL18359235 0.78 LRRK2 (0.46) LRRK2ALKINSRZAP70EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435400-B2 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2019-10-08 US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 US disclosed
EP-3112364-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-04 EP disclosed
WO-2015127872-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 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 (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-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM ERBB2, EGFR, ERBB3 LRRK2 2261/4885ALK 21/4885INSR 827/4885
US-10435400-B2 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom ERBB2, EGFR, ERBB3 LRRK2 2261/4885ALK 21/4885INSR 827/4885

“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.