SCHEMBL19100723

SCHEMBL19100723

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(NC=O)c3ccccc32)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.59
MLNR O43193 1/20 0.47
KDM1A O60341 1/20 0.47
ABCB11 O95342 1/20 0.47
ERBB2 P04626 1/20 0.47
INSR P06213 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
NQO2 P16083 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
ERBB3 P21860 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADORA2A P29274 1/20 0.47
SLC6A4 P31645 1/20 0.47
CCKAR P32238 1/20 0.47

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
SCHEMBL19100718 0.91 EGFR (0.60) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19337197 0.90 EGFR (0.70) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19100652 0.88 EGFR (0.60) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19337193 0.88 EGFR (0.58) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19100709 0.88 EGFR (0.58) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19100160 0.87 EGFR (0.61) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL20610635 0.87 EGFR (0.61) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19337068 0.87 EGFR (0.56) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19100429 0.86 EGFR (0.60) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19089469 0.85 EGFR (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 EGFR 1/4885MLNR 2212/4885KDM1A 1965/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 EGFR 1/4885MLNR 2212/4885KDM1A 1965/4885

“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.