SCHEMBL31476053

SCHEMBL31476053

C=CC(=O)N1CCN(c2ncc3ncnc(Nc4ccc(Oc5cnc6c(c5)ncn6C)c(C)c4)c3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.66
EGFR P00533 2/20 0.66
BRAF P15056 16/20 0.45

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
SCHEMBL31475965 0.91 EGFR (0.60) ERBB2EGFRBRAF
SCHEMBL23750174 0.91 ERBB2 (0.79) ERBB2EGFRBRAF
SCHEMBL30575962 0.91 ERBB2 (0.79) ERBB2EGFRBRAF
SCHEMBL24809529 0.90 ERBB2 (0.54) ERBB2EGFRBRAF
SCHEMBL31476056 0.89 EGFR (0.63) ERBB2EGFRBRAF
SCHEMBL31475846 0.88 ERBB2 (0.62) ERBB2EGFRBRAF
SCHEMBL31475885 0.88 EGFR (0.52) ERBB2EGFRBRAF
SCHEMBL24809180 0.88 ERBB2 (0.52) ERBB2EGFRBRAF
SCHEMBL23957495 0.87 ERBB2 (0.73) ERBB2EGFRBRAF
SCHEMBL26418909 0.86 ERBB2 (0.66) ERBB2EGFRBRAF

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-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 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-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885BRAF 95/4885

“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.