SCHEMBL31476018

SCHEMBL31476018

C=CC(=O)N1CCN(c2ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c3n2)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.42
ERBB2 P04626 12/20 0.42
NQO2 P16083 1/20 0.42
FECH P22830 1/20 0.42
MYH14 Q7Z406 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
JAK3 P52333 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL30575838 0.91 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL24809526 0.91 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL31475763 0.86 EGFR (0.42) EGFRERBB2NQO2FECHMYH14
SCHEMBL24809191 0.84 EGFR (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL25431672 0.84 EGFR (0.39) EGFRERBB2NQO2FECHMYH14
SCHEMBL25431513 0.84 ERBB2 (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL30576001 0.84 ERBB2 (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL24989981 0.84 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL24809105 0.83 ERBB2 (0.51) EGFRERBB2JAK3BRAF
SCHEMBL24809542 0.83 ERBB2 (0.59) EGFRERBB2BRAF

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 EGFR 3/4885ERBB2 1/4885NQO2 2133/4885

“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.