SCHEMBL10060098

SCHEMBL10060098

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(NC(C)C)cc3OC)ncc2C)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.83
ERBB2 P04626 2/20 0.83
ERBB3 P21860 2/20 0.83
ERBB4 Q15303 2/20 0.83
BTK Q06187 3/20 0.64
ITK Q08881 3/20 0.62

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
SCHEMBL16407979 0.91 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL19360697 0.89 EGFR (0.74) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL4560138 0.89 EGFR (1.00) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL9923758 0.88 EGFR (0.82) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL9923759 0.87 EGFR (0.81) EGFRBTKITK
SCHEMBL9923762 0.84 EGFR (0.82) EGFRBTKITK
SCHEMBL19360704 0.83 EGFR (0.72) EGFRBTKITK
SCHEMBL10059499 0.83 EGFR (0.81) EGFRERBB2ERBB3ERBB4BTK
SCHEMBL9923763 0.83 EGFR (0.82) EGFRBTKITK
SCHEMBL18371447 0.81 JAK3 (0.81) EGFRERBB3ERBB4BTKITK

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-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-21 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-20120157426-A1 MUTANT-SELECTIVE EGFR INHIBITORS AND USES THEREOF EGFR, ERBB3, ERBB2 EGFR 1/4885ERBB2 3/4885ERBB3 2/4885

“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.