SCHEMBL25001598

SCHEMBL25001598

COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2N(C)S(=O)(=O)C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.55
▸ MET P08581 1/20 0.48
▸ BTK Q06187 1/20 0.47
▸ INSR P06213 3/20 0.43
▸ ALK Q9UM73 3/20 0.43
▸ IGF1R P08069 2/20 0.43
▸ PTK2 Q05397 1/20 0.42

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
SCHEMBL25001347 0.93 EGFR (0.63) EGFRMETBTKINSRALK
SCHEMBL25001602 0.89 EGFR (0.55) EGFRMETBTKINSRALK
SCHEMBL25820886 0.88 EGFR (0.57) EGFR
SCHEMBL25001407 0.85 EGFR (0.54) EGFRMETBTKALK
SCHEMBL25002725 0.85 EGFR (0.52) EGFRMETBTKINSRALK
SCHEMBL25001848 0.84 EGFR (0.46) EGFRMETINSRALKIGF1R
SCHEMBL30860273 0.82 EGFR (0.53) EGFRMETBTKPTK2
SCHEMBL29084096 0.81 EGFR (0.71) EGFRMETBTKINSRALK
SCHEMBL27091519 0.81 EGFR (0.67) EGFRBTKINSRALKIGF1R
SCHEMBL25001715 0.80 EGFR (0.61) EGFRMETBTKINSRALK

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 1/4885MET 10/4885BTK 265/4885

“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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