SCHEMBL19210244

SCHEMBL19210244

COc1cc(CNCCN(C)C(=O)O)c([N+](=O)[O-])cc1Nc1nccc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.55
KCNH2 Q12809 4/20 0.55
FLT3 P36888 2/20 0.52
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
IGF1R P08069 4/20 0.48
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MLNR O43193 1/20 0.41
KDM1A O60341 1/20 0.41
ABCB11 O95342 1/20 0.41
ERBB2 P04626 1/20 0.41
INSR P06213 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL19210256 0.88 EGFR (0.65) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL19210245 0.82 EGFR (0.61) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL22510206 0.81 EGFR (0.54) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL30120921 0.81 EGFR (0.71) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL14663465 0.81 EGFR (0.71) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL17831509 0.81 EGFR (0.61) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL30378140 0.81 EGFR (0.71) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL29973816 0.79 FLT3 (0.65) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL14663441 0.79 FLT3 (0.65) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL17683180 0.79 EGFR (0.61) EGFRKCNH2FLT3MKNK1MKNK2

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 4 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-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-04-04 US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 EP 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-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885KCNH2 3977/4885FLT3 13/4885
US-10428081-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 EGFR 1/4885KCNH2 3977/4885FLT3 13/4885

“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.