SCHEMBL19254854

SCHEMBL19254854

COc1ccc2c(c1)c(C1CC1)nn2-c1nc(Nc2cc([N+](=O)[O-])c(N(C)CCN(C)C)cc2OC)ncc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.45
ALK Q9UM73 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL19532537 0.91 EGFR (0.47) EGFR
SCHEMBL17683283 0.90 EGFR (0.45) EGFRALK
SCHEMBL17683377 0.89 EGFR (0.43) EGFRALKLRRK2
SCHEMBL17683376 0.87 LRRK2 (0.38) EGFRALKLRRK2
SCHEMBL17683173 0.85 EGFR (0.61) EGFR
SCHEMBL17682942 0.83 EGFR (0.46) EGFRLRRK2
SCHEMBL19254675 0.81 EGFR (0.44) EGFRLRRK2
SCHEMBL19532535 0.79 EGFR (0.40) EGFR
SCHEMBL19089412 0.79 EGFR (0.49) EGFR
SCHEMBL17683274 0.79 EGFR (0.43) EGFRALK

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 EGFR 1/4885ALK 8/4885LRRK2 266/4885

“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.