SCHEMBL25820802

SCHEMBL25820802

COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)S(C)(=O)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.58
▸ BTK Q06187 1/20 0.54
▸ TTK P33981 1/20 0.47
▸ ULK1 O75385 1/20 0.46

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
SCHEMBL25001890 0.92 EGFR (0.55) EGFRBTKTTK
SCHEMBL25001544 0.89 EGFR (0.65) EGFRBTKTTKULK1
SCHEMBL30741317 0.89 EGFR (0.65) EGFRBTKTTKULK1
SCHEMBL25001403 0.88 EGFR (0.59) EGFRBTKTTKULK1
SCHEMBL25001534 0.87 EGFR (0.56) EGFR
SCHEMBL22950947 0.87 EGFR (0.64) EGFRBTK
SCHEMBL25001947 0.86 EGFR (0.54) EGFR
SCHEMBL25001852 0.86 EGFR (0.50) EGFRBTK
SCHEMBL25001595 0.85 EGFR (0.48) EGFRBTKTTK
SCHEMBL25001622 0.85 EGFR (0.48) EGFRBTK

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 2 patents. 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
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 1/4885BTK 265/4885TTK 174/4885

“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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