SCHEMBL17683085

SCHEMBL17683085

CN(C)CCN(C)c1cc(OC(F)F)c(Nc2nccc(-c3cn(CCO)c4ccccc34)n2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.62
MKNK2 Q9HBH9 1/20 0.54
MLNR O43193 1/20 0.51
KDM1A O60341 1/20 0.51
ABCB11 O95342 1/20 0.51
ERBB2 P04626 1/20 0.51
INSR P06213 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
NQO2 P16083 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
ERBB3 P21860 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADORA2A P29274 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL28134338 0.92 EGFR (0.73) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17683231 0.91 EGFR (0.60) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL30459829 0.91 EGFR (0.60) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17683241 0.88 EGFR (0.64) EGFRMKNK2MLNRKDM1AABCB11
SCHEMBL19254834 0.88 EGFR (0.50) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17683084 0.88 EGFR (0.60) EGFRMKNK2
SCHEMBL30459820 0.88 EGFR (0.60) EGFRMKNK2
SCHEMBL23729116 0.87 EGFR (0.49) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17683252 0.87 EGFR (0.62) EGFRMKNK2MLNRKDM1AABCB11
SCHEMBL17683261 0.87 EGFR (0.61) EGFRMLNRKDM1AABCB11ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205650-B1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2021-08-04 EP disclosed
US-10428081-B2 EGFR inhibitor, preparation method and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-10259820-B2 EGFR inhibitor, preparation method and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-04-16 US disclosed
US-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-04-04 US disclosed
US-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2017-11-02 US disclosed
US-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2017-11-02 US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 EP disclosed
WO-2016054987-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2016-04-14 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 (4 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-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 2422/4885MLNR 166/4885
US-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 2701/4885MLNR 181/4885
US-10428081-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 2701/4885MLNR 181/4885
US-10259820-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 2422/4885MLNR 166/4885

“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.