SCHEMBL26697709

SCHEMBL26697709

COc1c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.57
EGFR P00533 11/20 0.55
NQO2 P16083 1/20 0.49
FECH P22830 1/20 0.49
MYH14 Q7Z406 1/20 0.49
RIPK3 Q9Y572 1/20 0.49

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
SCHEMBL29935838 0.91 EGFR (0.56) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26005263 0.91 EGFR (0.56) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29309565 0.90 EGFR (0.59) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26697702 0.86 ERBB2 (0.62) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26697776 0.86 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25432391 0.86 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30575856 0.86 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30575944 0.86 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL31541195 0.86 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25431525 0.86 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2024-10-03 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2022-11-17 US disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 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 (3 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-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 ERBB2 2/4885EGFR 1/4885NQO2 995/4885
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 ERBB2 2/4885EGFR 1/4885NQO2 264/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 ERBB2 2/4885EGFR 1/4885NQO2 264/4885

“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.