SCHEMBL27315311

SCHEMBL27315311

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.80
KDR P35968 3/20 0.79
EPHB4 P54760 3/20 0.79
KCNH2 Q12809 2/20 0.79
ERBB2 P04626 2/20 0.79
FLT4 P35916 2/20 0.79
CIT O14578 1/20 0.79
GAK O14976 1/20 0.79
EPHB6 O15197 1/20 0.79
ABCC4 O15439 1/20 0.79
DAPK3 O43293 1/20 0.79
RIPK2 O43353 1/20 0.79
NR1I2 O75469 1/20 0.79
RPS6KA4 O75676 1/20 0.79
STK17B O94768 1/20 0.79
STK10 O94804 1/20 0.79
PRKD3 O94806 1/20 0.79
ABCB11 O95342 1/20 0.79
MAP4K4 O95819 1/20 0.79
CHEK2 O96017 1/20 0.79

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
SCHEMBL27315319 0.91 EGFR (0.81) EGFRKDREPHB4KCNH2ERBB2
SCHEMBL11019 0.89 EGFR (1.00) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL29351336 0.88 EGFR (1.00) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL7866 0.88 EGFR (1.00) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL29351046 0.88 EGFR (1.00) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL465143 0.88 EGFR (1.00) EGFRKDREPHB4KCNH2ERBB2
SCHEMBL1734701 0.88 EGFR (1.00) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL30887946 0.88 EGFR (0.98) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL2770155 0.88 EGFR (0.98) EGFRKDREPHB4KCNH2ERBB2
Gefitinib SCHEMBL29371159 0.88 EGFR (0.98) EGFRKDREPHB4KCNH2ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236596-A1 HYDROXYLAMINE-BASED EGFR INHIBITORS FOR TREATMENT OF CANCER WITH BRAIN METASTASES UNIV GEORGIA (US) 2025-07-24 US disclosed
CN-119894510-A Hydroxylamine-based EGFR inhibitors for the treatment of brain metastasis 乔治亚大学研究基金会 2025-04-25 CN disclosed
WO-2024059668-A2 HYDROXYLAMINE-BASED EGFR INHIBITORS FOR TREATMENT OF CANCER WITH BRAIN METASTASES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-03-21 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-20250236596-A1 HYDROXYLAMINE-BASED EGFR INHIBITORS FOR TREATMENT OF CANCER WITH BRAIN METASTASES EGFR, ERBB2, ERBB3 EGFR 1/4885KDR 16/4885EPHB4 59/4885

“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.