SCHEMBL17059352

SCHEMBL17059352

COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncc(Cl)c(-c2cnn(C)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.72
IGF1R P08069 2/20 0.49
KCNH2 Q12809 2/20 0.49
INSR P06213 1/20 0.48
LRRK2 Q5S007 1/20 0.48

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
SCHEMBL17059355 0.86 EGFR (0.69) EGFRIGF1RKCNH2INSR
SCHEMBL17059226 0.84 EGFR (0.71) EGFR
SCHEMBL17059177 0.84 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL17059309 0.84 EGFR (0.73) EGFR
SCHEMBL30837015 0.81 EGFR (0.51) EGFR
SCHEMBL29974185 0.81 EGFR (0.74) EGFRIGF1RKCNH2
SCHEMBL29974228 0.80 EGFR (0.73) EGFRIGF1RKCNH2INSR
SCHEMBL17385150 0.80 EGFR (0.73) EGFRIGF1RKCNH2INSR
SCHEMBL17683280 0.80 EGFR (0.62) EGFRIGF1RKCNH2INSR
SCHEMBL17059198 0.78 EGFR (0.52) EGFRKCNH2INSRLRRK2

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 5 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
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 EGFR 2/4885IGF1R 815/4885KCNH2 3981/4885
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 EGFR 2/4885IGF1R 815/4885KCNH2 3981/4885

“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.