SCHEMBL9946940

SCHEMBL9946940

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCCN(C(C)=O)CC4)cc3O)ncc2C)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.68
BTK Q06187 2/20 0.63
GAK O14976 1/20 0.63
FES P07332 1/20 0.63
FER P16591 1/20 0.63
ERBB3 P21860 1/20 0.63
TEC P42680 1/20 0.63
CLK1 P49759 1/20 0.63
JAK3 P52333 1/20 0.63
PTK2 Q05397 1/20 0.63
TNK1 Q13470 1/20 0.63
ALK Q9UM73 1/20 0.63
ITK Q08881 1/20 0.56

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
SCHEMBL9946936 0.97 EGFR (0.70) EGFRBTKGAKFESFER
SCHEMBL9945449 0.91 EGFR (0.82) EGFRBTKGAKFESFER
SCHEMBL9946955 0.89 EGFR (0.82) EGFRBTKGAKFESFER
SCHEMBL18371445 0.89 EGFR (0.77) EGFRBTKGAKFESFER
SCHEMBL9946935 0.89 EGFR (0.71) EGFRBTKGAKFESFER
SCHEMBL18371446 0.89 EGFR (0.69) EGFRBTKGAKFESFER
SCHEMBL9945477 0.87 EGFR (0.86) EGFRBTKGAKFESFER
SCHEMBL9946949 0.87 EGFR (0.69) EGFRBTKJAK3ITK
SCHEMBL18371442 0.87 EGFR (0.79) EGFRBTKITK
SCHEMBL18371444 0.87 EGFR (0.76) EGFRBTKGAKFESFER

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-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 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-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885BTK 988/4885GAK 1852/4885

“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.