SCHEMBL26388341

SCHEMBL26388341

COc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2N(SC)C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.55
▸ ROS1 P08922 1/20 0.42
▸ ALK Q9UM73 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
SCHEMBL26402655 0.93 EGFR (0.49) EGFRROS1ALK
SCHEMBL26383298 0.93 EGFR (0.57) EGFRALK
SCHEMBL26398839 0.90 ALK (0.46) EGFRROS1ALK
SCHEMBL26388116 0.90 EGFR (0.57) EGFRROS1ALK
SCHEMBL26388363 0.90 EGFR (0.59) EGFR
SCHEMBL26385707 0.89 EGFR (0.56) EGFRALK
SCHEMBL26379853 0.88 EGFR (0.56) EGFRROS1ALK
SCHEMBL26378824 0.87 EGFR (0.57) EGFRROS1ALK
SCHEMBL26379828 0.86 EGFR (0.57) EGFRROS1ALK
SCHEMBL26396005 0.86 EGFR (0.75) EGFR

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 1/4885ROS1 41/4885ALK 58/4885

“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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