SCHEMBL26324704

SCHEMBL26324704

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(C3CC3)cc2C(C)(C)O)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.40
ALK Q9UM73 4/20 0.37
EGFR P00533 2/20 0.34
PTK2 Q05397 1/20 0.33

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
SCHEMBL26324473 0.90 LRRK2 (0.39) LRRK2EGFRPTK2
SCHEMBL26324772 0.86 EGFR (0.40) LRRK2EGFRPTK2
SCHEMBL26324590 0.85 LRRK2 (0.39) LRRK2EGFRPTK2
SCHEMBL22507833 0.85 EGFR (0.43) LRRK2EGFRPTK2
SCHEMBL26324812 0.81 LRRK2 (0.40) LRRK2EGFRPTK2
SCHEMBL22507934 0.77 LRRK2 (0.37) LRRK2ALKEGFR
SCHEMBL26324859 0.77 LRRK2 (0.37) LRRK2EGFR
SCHEMBL26324498 0.76 EGFR (0.51) LRRK2ALKEGFR
SCHEMBL26324982 0.76 ZAP70 (0.46) LRRK2ALKEGFR
SCHEMBL23761671 0.75 EGFR (0.54) LRRK2ALKEGFR

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-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 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-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 LRRK2 225/4885ALK 130/4885EGFR 5/4885

“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.