SCHEMBL13185131

SCHEMBL13185131

C=CC(=O)Nc1cc(Nc2nc(Nc3cccc(OC)c3)ncc2C(F)(F)F)ccc1C

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.83
BTK Q06187 5/20 0.82
MAPK3 P27361 4/20 0.71
PTK2 Q05397 1/20 0.65
BMX P51813 1/20 0.62
ITK Q08881 1/20 0.61
ERBB2 P04626 1/20 0.60
ERBB3 P21860 1/20 0.60
ERBB4 Q15303 1/20 0.60

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
SCHEMBL13185275 0.91 EGFR (0.81) EGFRBTKMAPK3
SCHEMBL12519461 0.91 EGFR (1.00) EGFRBTKMAPK3PTK2ITK
SCHEMBL12519451 0.90 EGFR (1.00) EGFRBTKMAPK3PTK2ITK
SCHEMBL29722381 0.90 EGFR (1.00) EGFRBTKMAPK3PTK2ITK
SCHEMBL13185241 0.89 EGFR (0.67) EGFRBTKBMXITK
SCHEMBL29722500 0.89 EGFR (1.00) EGFRBTKMAPK3PTK2ITK
SCHEMBL12519518 0.89 EGFR (1.00) EGFRBTKMAPK3PTK2ITK
SCHEMBL29722587 0.87 EGFR (0.89) EGFRBTKMAPK3PTK2ITK
SCHEMBL21443504 0.85 EGFR (0.89) EGFRBTKMAPK3PTK2ITK
SCHEMBL13165700 0.83 BTK (1.00) EGFRBTKMAPK3PTK2ITK

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-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 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-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885MAPK3 4111/4885

“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.