SCHEMBL9975775

SCHEMBL9975775

CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(O)c4)c3c2)o1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.85
ERBB2 P04626 14/20 0.85
ABCB11 O95342 2/20 0.85
MEN1 O00255 1/20 0.85
PIK3C2B O00750 1/20 0.85
MAP2K7 O14733 1/20 0.85
RIPK2 O43353 1/20 0.85
PIK3C2G O75747 1/20 0.85
STK10 O94804 1/20 0.85
ABL1 P00519 1/20 0.85
INSR P06213 1/20 0.85
RET P07949 1/20 0.85
CYP3A4 P08684 1/20 0.85
PDGFRB P09619 1/20 0.85
SRC P12931 1/20 0.85
CYP3A5 P20815 1/20 0.85
ERBB3 P21860 1/20 0.85
CDK2 P24941 1/20 0.85
KMT2A Q03164 1/20 0.85
KCNH2 Q12809 1/20 0.85

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
SCHEMBL15099362 0.93 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2101983 0.93 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13894728 0.92 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL18211401 0.92 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL18691854 0.92 EGFR (0.97) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL2505835 0.92 EGFR (0.97) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2102732 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL114306 0.92 EGFR (0.85) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29464189 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29351024 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B

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
US-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2018-01-18 US disclosed
US-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2018-01-18 US disclosed
US-20120156200-A1 METHOD OF TREATING CANCER SMITHKLINE BEECHAM (CORK) LTD. (IE) 2012-06-21 US disclosed
US-20120156200-A1 METHOD OF TREATING CANCER SMITHKLINE BEECHAM (CORK) LTD. (IE) 2012-06-21 US 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-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR EGFR, ERBB2, ABL1 EGFR 1/4885ERBB2 2/4885ABCB11 178/4885
US-20120156200-A1 METHOD OF TREATING CANCER HLA-DRB1, HLA-B, HLA-C EGFR 1389/4885ERBB2 1782/4885ABCB11 853/4885

“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.