SCHEMBL26398727

SCHEMBL26398727

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C#N)c(Nc2ccc3nccnc3c2N(C)SC2CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.61
▸ INSR P06213 12/20 0.61
▸ IGF1R P08069 12/20 0.61
▸ PLK1 P53350 4/20 0.58
▸ EGFR P00533 5/20 0.51
▸ MET P08581 2/20 0.51
▸ CHEK1 O14757 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ NUAK1 O60285 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ STK10 O94804 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ SLC34A2 O95436 1/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ CD74 P04233 1/20 0.50
▸ ERBB2 P04626 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ FES P07332 1/20 0.50

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
SCHEMBL26385676 0.91 EGFR (0.61) ALKINSRIGF1RPLK1EGFR
SCHEMBL26399188 0.90 ALK (0.58) ALKINSRIGF1RPLK1EGFR
SCHEMBL24074211 0.89 EGFR (0.63) ALKINSRIGF1RPLK1EGFR
SCHEMBL26398781 0.88 EGFR (0.58) ALKINSRIGF1RPLK1EGFR
SCHEMBL26383262 0.85 EGFR (0.62) ALKINSRIGF1RPLK1EGFR
SCHEMBL26402950 0.85 ALK (0.63) ALKINSRIGF1RPLK1EGFR
SCHEMBL25791299 0.84 ALK (0.60) ALKINSRIGF1RPLK1EGFR
SCHEMBL26395271 0.84 ALK (0.60) ALKINSRIGF1RPLK1EGFR
SCHEMBL26383455 0.84 ALK (0.64) ALKINSRIGF1RPLK1EGFR
SCHEMBL26399497 0.84 ALK (0.60) ALKINSRIGF1RPLK1EGFR

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 ALK 58/4885INSR 283/4885IGF1R 73/4885

“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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