SCHEMBL25001934

SCHEMBL25001934

COc1cc(N2CCC3(CC2)CN(C)CCO3)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)CC3)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.48
▸ BTK Q06187 1/20 0.44
▸ MAP4K1 Q92918 2/20 0.40
▸ MET P08581 1/20 0.38
▸ PLK1 P53350 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ ALK Q9UM73 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
SCHEMBL25001806 0.90 EGFR (0.49) EGFRBTKMAP4K1METALK
SCHEMBL25001385 0.89 EGFR (0.60) EGFRBTKMAP4K1ULK1ALK
SCHEMBL25001697 0.88 EGFR (0.52) EGFRBTKMAP4K1ULK1ALK
SCHEMBL25001448 0.86 EGFR (0.58) EGFRBTKMAP4K1METPLK1
SCHEMBL30860746 0.81 EGFR (0.54) EGFRBTKMETPLK1
SCHEMBL27091500 0.81 EGFR (0.52) EGFRBTK
SCHEMBL29785310 0.81 EGFR (0.52) EGFRBTK
SCHEMBL30860759 0.81 EGFR (0.56) EGFRBTKMET
SCHEMBL25002853 0.80 EGFR (0.47) EGFRBTKMAP4K1ALK
SCHEMBL30860424 0.79 EGFR (0.56) EGFRBTKMETPLK1ALK

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 3 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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP 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 265/4885MAP4K1 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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