SCHEMBL25404859

SCHEMBL25404859

CC(C)[Si](OCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cs3)n([C@@H]3CCCCN(C(=O)O)C3)c2c1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.39
▸ ITK Q08881 3/20 0.38
▸ MET P08581 1/20 0.38
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ MAP3K7 O43318 2/20 0.37
▸ IRAK1 P51617 2/20 0.37
▸ EGFR P00533 2/20 0.36
▸ SPR P35270 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL30528196 0.92 ALK (0.38) ALKITKIRAK4MAP3K7IRAK1
SCHEMBL25406231 0.88 IRAK4 (0.45) ALKITKMETIRAK4MAP3K7
SCHEMBL25406226 0.88 IRAK4 (0.45) ALKITKMETIRAK4MAP3K7
SCHEMBL25404826 0.85 EGFR (0.49) ALKMETIRAK4MAP3K7IRAK1
SCHEMBL25405579 0.83 ITK (0.38) ALKITKIRAK4MAP3K7IRAK1
SCHEMBL25405583 0.83 ITK (0.38) ALKITKIRAK4MAP3K7IRAK1
SCHEMBL26584987 0.81 ALK (0.39) ALKITKMETIRAK4MAP3K7
SCHEMBL26584986 0.81 IRAK4 (0.42) ALKITKMETIRAK4MAP3K7
SCHEMBL25405702 0.80 EGFR (0.49) ALKMETIRAK4MAP3K7IRAK1
SCHEMBL26585002 0.78 EGFR (0.46) ALKMETIRAK4MAP3K7IRAK1

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 1 patent. 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

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 ALK 85/4885ITK 1112/4885MET 6/4885

“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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