SCHEMBL26379062

SCHEMBL26379062

COc1nc(N2CCN(C)CC2)ncc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2N(C)S(C)(=O)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.46
▸ ALK Q9UM73 3/20 0.43
▸ ROS1 P08922 2/20 0.43

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
SCHEMBL26379042 0.90 ROS1 (0.54) EGFRALKROS1
SCHEMBL26379054 0.86 EGFR (0.52) EGFRALK
SCHEMBL26378975 0.85 ALK (0.58) EGFRALK
SCHEMBL26379123 0.85 EGFR (0.52) EGFRALK
SCHEMBL26378824 0.84 EGFR (0.57) EGFRALKROS1
SCHEMBL26378873 0.83 EGFR (0.67) EGFR
SCHEMBL26379058 0.83 EGFR (0.49) EGFRALK
SCHEMBL26378981 0.83 EGFR (0.63) EGFRALK
SCHEMBL26379163 0.82 MAP4K1 (0.55) EGFRALK
SCHEMBL26379047 0.82 EGFR (0.51) EGFRALK

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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885ALK 58/4885ROS1 41/4885

“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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