SCHEMBL17059182

SCHEMBL17059182

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn(C)c3)n2)c(OC)cc1N1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
IGF1R P08069 1/20 0.70
KCNH2 Q12809 1/20 0.70
ALK Q9UM73 2/20 0.62

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
SCHEMBL17059201 0.90 EGFR (1.00) EGFR
SCHEMBL18369580 0.89 EGFR (0.83) EGFRIGF1RKCNH2ALK
SCHEMBL17059219 0.85 EGFR (0.84) EGFRIGF1RKCNH2ALK
SCHEMBL21440040 0.84 EGFR (0.81) EGFRIGF1RKCNH2
SCHEMBL19860194 0.84 EGFR (0.77) EGFRIGF1RKCNH2
SCHEMBL17467217 0.84 EGFR (1.00) EGFRIGF1RKCNH2
SCHEMBL19027763 0.83 EGFR (0.72) EGFRIGF1RKCNH2ALK
SCHEMBL14719088 0.83 EGFR (1.00) EGFRIGF1RKCNH2
SCHEMBL18359226 0.82 EGFR (0.70) EGFRIGF1RKCNH2ALK
SCHEMBL14719103 0.82 EGFR (1.00) EGFRIGF1RKCNH2ALK

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.