SCHEMBL19254885

SCHEMBL19254885

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-n2nc(C)c3cc(C#N)ccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.42
PTK2 Q05397 3/20 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
SCHEMBL17683276 0.91 LRRK2 (0.41) LRRK2PTK2
SCHEMBL17682942 0.87 EGFR (0.46) LRRK2
SCHEMBL19532546 0.83 LRRK2 (0.36) LRRK2
SCHEMBL19540761 0.83 LRRK2 (0.44) LRRK2
SCHEMBL17683376 0.81 LRRK2 (0.38) LRRK2PTK2
SCHEMBL17683380 0.80 LRRK2 (0.41) LRRK2
SCHEMBL19254675 0.80 EGFR (0.44) LRRK2
SCHEMBL23729044 0.78 LRRK2 (0.42) LRRK2PTK2
SCHEMBL17682938 0.78 EGFR (0.41) LRRK2
SCHEMBL23729091 0.78 EGFR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2017-11-02 US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 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-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 LRRK2 266/4885PTK2 857/4885

“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.