SCHEMBL26395379

SCHEMBL26395379

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccc3nccnc3c2N(C)SC)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.59
▸ ALK Q9UM73 14/20 0.58
▸ INSR P06213 9/20 0.58
▸ IGF1R P08069 9/20 0.58
▸ EGFR P00533 3/20 0.55
▸ MET P08581 1/20 0.53
▸ FGFR1 P11362 1/20 0.53

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
SCHEMBL26383455 0.91 ALK (0.64) PLK1ALKINSRIGF1REGFR
SCHEMBL26402950 0.90 ALK (0.63) PLK1ALKINSRIGF1REGFR
SCHEMBL24072072 0.90 EGFR (0.63) PLK1ALKINSRIGF1REGFR
SCHEMBL26395405 0.90 EGFR (0.63) ALKINSRIGF1REGFR
SCHEMBL26383262 0.90 EGFR (0.62) PLK1ALKINSRIGF1REGFR
SCHEMBL26395271 0.90 ALK (0.60) PLK1ALKINSRIGF1REGFR
SCHEMBL26399497 0.90 ALK (0.60) PLK1ALKINSRIGF1REGFR
SCHEMBL25791299 0.90 ALK (0.60) PLK1ALKINSRIGF1REGFR
SCHEMBL26403364 0.89 ALK (0.60) PLK1ALKINSRIGF1REGFR
SCHEMBL26383403 0.89 ALK (0.59) PLK1ALKINSRIGF1REGFR

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 267/4885ALK 58/4885INSR 283/4885

“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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