SCHEMBL26246573

SCHEMBL26246573

C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3cc(C)cc(CC(=O)N(C)C)c3)c3c(N)ncnc32)C1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 20/20 0.82
▸ EGFR P00533 1/20 0.72

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
SCHEMBL19180975 0.90 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19180977 0.90 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19181606 0.87 ERBB2 (1.00) ERBB2
SCHEMBL31409150 0.87 ERBB2 (1.00) ERBB2
SCHEMBL19181607 0.87 ERBB2 (1.00) ERBB2
SCHEMBL19181050 0.86 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19181051 0.86 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19180918 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19182449 0.85 ERBB2 (1.00) ERBB2
SCHEMBL19182452 0.85 ERBB2 (1.00) ERBB2

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-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 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-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885

“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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