SCHEMBL25001554

SCHEMBL25001554

COCCN1CCN(c2cc(OC)c(Nc3ncc(Br)c(Nc4ccccc4NS(C)(=O)=O)n3)cc2-c2cnn(C)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.68
▸ BTK Q06187 1/20 0.54
▸ ALK Q9UM73 3/20 0.46
▸ ROS1 P08922 2/20 0.46
▸ CDK19 Q9BWU1 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ MAP4K1 Q92918 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
SCHEMBL25002440 0.89 EGFR (0.56) EGFRBTKALKROS1CDK19
SCHEMBL25001489 0.89 EGFR (0.84) EGFRBTKALKCDK19LRRK2
SCHEMBL25001558 0.88 EGFR (0.55) EGFRBTKALKCDK19MAP4K1
SCHEMBL27091346 0.88 EGFR (0.64) EGFRBTKALKCDK19LRRK2
SCHEMBL27091519 0.86 EGFR (0.67) EGFRBTKALK
SCHEMBL27091454 0.85 EGFR (0.74) EGFRBTKALKCDK19LRRK2
SCHEMBL27091391 0.85 EGFR (0.75) EGFRBTKALKLRRK2
SCHEMBL25001487 0.84 EGFR (0.76) EGFRBTKALKROS1CDK19
SCHEMBL25001952 0.84 EGFR (0.73) EGFRBTKALKLRRK2
SCHEMBL23302517 0.83 EGFR (0.87) EGFRBTKALKROS1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 — — CN disclosed
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
CN-112538072-A Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor 齐鲁制药有限公司 2021-03-23 — — CN 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 265/4885ALK 16/4885

“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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