SCHEMBL26402229

SCHEMBL26402229

COc1ccc(N2CCC(OI)CC2)cc1CNc1ncc(C)c(Nc2ccc3nccnc3c2N(C)SC)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.42
▸ EGFR P00533 9/20 0.41
▸ ALK Q9UM73 4/20 0.39
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 3/20 0.39
▸ INSR P06213 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ TNK2 Q07912 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BRD4 O60885 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
SCHEMBL26397198 0.87 EGFR (0.47) PLK1EGFRALKIGF1R
SCHEMBL26397089 0.82 EGFR (0.47) PLK1EGFRALKIGF1RJAK2
SCHEMBL26397273 0.82 EGFR (0.57) PLK1EGFRALKINSRIGF1R
SCHEMBL26401884 0.81 EGFR (0.48) PLK1EGFRALKIGF1RBRD4
SCHEMBL26402950 0.79 ALK (0.63) PLK1EGFRALKPDGFRBPDGFRA
SCHEMBL26385374 0.75 EGFR (0.60) PLK1EGFR
SCHEMBL26385363 0.75 EGFR (0.68) PLK1EGFR
SCHEMBL26397144 0.74 JAK3 (0.43) PLK1EGFRALKIGF1RJAK3
SCHEMBL26385402 0.74 EGFR (0.62) PLK1EGFRALK
SCHEMBL26395755 0.74 ALK (0.57) 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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