SCHEMBL17196868

SCHEMBL17196868

C=CC(=O)Nc1cc(Nc2ncc(C(F)(F)F)c(NC3CN(S(C)(=O)=O)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.59
MAPK3 P27361 1/20 0.55

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
SCHEMBL17196866 0.92 EGFR (0.66) EGFR
SCHEMBL17196889 0.91 EGFR (0.67) EGFR
SCHEMBL18657531 0.90 EGFR (0.60) EGFR
SCHEMBL18563174 0.89 EGFR (0.59) EGFR
SCHEMBL18563153 0.89 EGFR (0.59) EGFR
SCHEMBL17196891 0.85 EGFR (0.64) EGFR
SCHEMBL17196790 0.85 EGFR (0.64) EGFR
SCHEMBL17196830 0.85 EGFR (0.64) EGFR
SCHEMBL17196955 0.85 EGFR (0.67) EGFRMAPK3
SCHEMBL17196777 0.83 EGFR (0.66) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144292-B1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) 2020-08-26 EP disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
WO-2015158233-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2015-10-22 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 (1 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-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 EGFR 3813/4885MAPK3 3417/4885

“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.