SCHEMBL23153805

SCHEMBL23153805

COc1cnn(-c2ccc(Nc3nc(Nc4cc(OC)c(N5CCC(O)CC5)cc4C)ncc3Br)c(P(C)(C)=O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.53
▸ INSR P06213 3/20 0.53
▸ IGF1R P08069 3/20 0.53
▸ EGFR P00533 15/20 0.47
▸ PLK1 P53350 1/20 0.45

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
SCHEMBL23153846 0.92 EGFR (0.57) ALKINSRIGF1REGFRPLK1
SCHEMBL23153739 0.91 ALK (0.51) ALKINSRIGF1REGFRPLK1
SCHEMBL23153788 0.90 ALK (0.52) ALKINSRIGF1REGFR
SCHEMBL23152176 0.90 EGFR (0.59) ALKINSRIGF1REGFRPLK1
SCHEMBL23154235 0.89 EGFR (0.56) ALKINSRIGF1REGFRPLK1
SCHEMBL23154124 0.84 EGFR (0.60) ALKINSRIGF1REGFR
SCHEMBL23153747 0.84 ALK (0.51) ALKINSRIGF1REGFR
SCHEMBL23154014 0.84 EGFR (0.68) ALKINSRIGF1REGFRPLK1
SCHEMBL23154129 0.83 EGFR (0.59) ALKINSRIGF1REGFR
SCHEMBL23154095 0.82 EGFR (0.65) ALKINSRIGF1REGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502564-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-13 — — CN claimed
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 — — US disclosed
CN-114502564-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-13 — — CN disclosed
WO-2021057882-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-04-01 — — WO 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-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR EGFR, ERBB2, ERBB3 ALK 129/4885INSR 149/4885IGF1R 24/4885

“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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