SCHEMBL26324772

SCHEMBL26324772

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
LRRK2 Q5S007 11/20 0.37
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ZAP70 P43403 1/20 0.34
PTK2 Q05397 1/20 0.34
EPHB4 P54760 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 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
SCHEMBL22507833 0.96 EGFR (0.43) EGFRLRRK2MAPTHPGDZAP70
SCHEMBL26324590 0.95 LRRK2 (0.39) EGFRLRRK2MAPTHPGDZAP70
SCHEMBL26324473 0.92 LRRK2 (0.39) EGFRLRRK2PTK2LMNAKMT2A
SCHEMBL26324859 0.88 LRRK2 (0.37) EGFRLRRK2ZAP70
SCHEMBL26324982 0.87 ZAP70 (0.46) EGFRLRRK2ZAP70
SCHEMBL26324704 0.86 LRRK2 (0.40) EGFRLRRK2PTK2
SCHEMBL23761671 0.86 EGFR (0.54) EGFRLRRK2MAPTHPGD
SCHEMBL31630575 0.86 EGFR (0.54) EGFRLRRK2MAPTHPGD
SCHEMBL26324812 0.83 LRRK2 (0.40) EGFRLRRK2PTK2KMT2A
SCHEMBL26324558 0.83 EGFR (0.48) EGFRPTK2

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 EGFR 5/4885LRRK2 225/4885MAPT 3607/4885

“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.