SCHEMBL25296645

SCHEMBL25296645

COc1cc(C2CNCCO2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)CC3)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.41
▸ ALK Q9UM73 8/20 0.40
▸ MAP4K1 Q92918 3/20 0.40
▸ INSR P06213 4/20 0.38
▸ BTK Q06187 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37

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
SCHEMBL25296774 0.87 MAP4K1 (0.51) EGFRALKMAP4K1BTKCDK19
SCHEMBL29208841 0.83 EGFR (0.54) EGFRALKBTKCDK19
SCHEMBL25001385 0.83 EGFR (0.60) EGFRALKMAP4K1INSRBTK
SCHEMBL29208829 0.82 ALK (0.61) ALKINSR
SCHEMBL25303779 0.80 EGFR (0.58) EGFRALKMAP4K1INSRBTK
SCHEMBL29208769 0.80 ULK1 (0.56) EGFRALKMAP4K1INSRBTK
SCHEMBL29208821 0.79 EGFR (0.47) EGFRALKBTKTTK
SCHEMBL25001806 0.79 EGFR (0.49) EGFRALKMAP4K1BTK
SCHEMBL25001697 0.78 EGFR (0.52) EGFRALKMAP4K1BTKTTK
SCHEMBL25001448 0.78 EGFR (0.58) EGFRALKMAP4K1INSRBTK

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885ALK 16/4885MAP4K1 318/4885

“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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