SCHEMBL26584986

SCHEMBL26584986

CC(C)(C)OC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cc([N+](=O)[O-])cs3)nc3ccc(CO)cc32)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.42
▸ MAP3K7 O43318 3/20 0.39
▸ IRAK1 P51617 3/20 0.39
▸ ALK Q9UM73 13/20 0.38
▸ ITK Q08881 3/20 0.38
▸ MET P08581 1/20 0.37
▸ TXK P42681 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ MERTK Q12866 1/20 0.36

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
SCHEMBL26584987 0.95 ALK (0.39) IRAK4MAP3K7IRAK1ALKITK
SCHEMBL26585002 0.91 EGFR (0.46) IRAK4MAP3K7IRAK1ALKMET
SCHEMBL30528196 0.90 ALK (0.38) IRAK4MAP3K7IRAK1ALKITK
SCHEMBL26584985 0.89 ITK (0.38) IRAK4MAP3K7IRAK1ITKTXK
SCHEMBL26584998 0.73 EGFR (0.49) IRAK4MAP3K7IRAK1ALKMET
SCHEMBL16896194 0.71 EGFR (0.64) IRAK4MAP3K7IRAK1ITK
SCHEMBL16896195 0.71 EGFR (0.64) IRAK4MAP3K7IRAK1ITK
SCHEMBL16895698 0.71 EGFR (0.49) ALKITKMET
SCHEMBL16895696 0.71 EGFR (0.49) ALKITKMET
SCHEMBL26584990 0.70 OPRM1 (0.41) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — US disclosed
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — 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 (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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 IRAK4 2022/4885MAP3K7 161/4885IRAK1 1561/4885

“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.

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