SCHEMBL31257421

SCHEMBL31257421

C=CC(=O)N1CCN(c2ncc3ncnc(Nc4ccc(Oc5cnn6ccnc6c5)c(C)c4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.56
ERBB2 P04626 5/20 0.56
BRAF P15056 9/20 0.43
NQO2 P16083 1/20 0.42
FECH P22830 1/20 0.42
MYH14 Q7Z406 1/20 0.42
RIPK3 Q9Y572 1/20 0.42

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
SCHEMBL23747166 0.91 ERBB2 (0.56) EGFRERBB2NQO2FECHMYH14
SCHEMBL31475819 0.88 EGFR (0.43) EGFRERBB2BRAF
SCHEMBL30050657 0.85 EGFR (0.53) EGFRERBB2
SCHEMBL24807827 0.85 EGFR (0.53) EGFRERBB2
SCHEMBL23747106 0.83 EGFR (0.50) EGFRERBB2BRAFNQO2FECH
SCHEMBL31476053 0.83 ERBB2 (0.66) EGFRERBB2BRAF
SCHEMBL26418909 0.83 ERBB2 (0.66) EGFRERBB2BRAF
SCHEMBL25432531 0.81 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL25999393 0.81 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL26428664 0.81 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14

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
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 US disclosed
WO-2024215809-A2 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-10-17 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-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885BRAF 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.