SCHEMBL26395645

SCHEMBL26395645

COc1cc(N2CCC(N3CCCC3)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2N(C)SC)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 6/20 0.63
▸ EGFR P00533 10/20 0.55
▸ ALK Q9UM73 4/20 0.53
▸ INSR P06213 3/20 0.52
▸ IGF1R P08069 3/20 0.52

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
SCHEMBL26383262 0.94 EGFR (0.62) PLK1EGFRALKINSRIGF1R
SCHEMBL26395755 0.91 ALK (0.57) PLK1EGFRALKINSRIGF1R
SCHEMBL26384095 0.90 EGFR (0.63) PLK1EGFRALKINSRIGF1R
SCHEMBL26378985 0.90 PLK1 (0.63) PLK1EGFRALKINSRIGF1R
SCHEMBL26385676 0.89 EGFR (0.61) PLK1EGFRALKINSRIGF1R
SCHEMBL26395787 0.88 ULK1 (0.64) PLK1EGFRALKINSRIGF1R
SCHEMBL26395715 0.88 EGFR (0.58) PLK1EGFRALKINSRIGF1R
SCHEMBL26385667 0.88 EGFR (0.62) PLK1EGFRALKINSRIGF1R
SCHEMBL26402950 0.86 ALK (0.63) PLK1EGFRALKINSRIGF1R
SCHEMBL26383455 0.86 ALK (0.64) PLK1EGFRALKINSRIGF1R

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 PLK1 267/4885EGFR 1/4885ALK 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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