SCHEMBL12396360

SCHEMBL12396360

C=CC(=O)Nc1cccc(C(=O)c2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.72
EGFR P00533 11/20 0.69
BTK Q06187 4/20 0.67
FLT3 P36888 3/20 0.67
BLK P51451 3/20 0.67
JAK2 O60674 2/20 0.67
ITK Q08881 2/20 0.67
PLK4 O00444 1/20 0.67
GAK O14976 1/20 0.67
NUAK1 O60285 1/20 0.67
BMX P51813 1/20 0.67
CTSC P53634 1/20 0.67
PTK2 Q05397 1/20 0.67
ERBB4 Q15303 1/20 0.67
DCLK3 Q9C098 1/20 0.67
NUAK2 Q9H093 1/20 0.67
EML4 Q9HC35 1/20 0.67
EIF2AK4 Q9P2K8 1/20 0.67
ALK Q9UM73 1/20 0.67
JAK1 P23458 1/20 0.66

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
SCHEMBL10128082 0.92 EGFR (0.75) JAK3EGFRBTKFLT3BLK
SCHEMBL18371447 0.88 JAK3 (0.81) JAK3EGFRBTKFLT3BLK
SCHEMBL15130588 0.85 EGFR (0.85) JAK3EGFRBTKFLT3BLK
SCHEMBL12371108 0.85 EGFR (0.63) JAK3EGFRBTKFLT3BLK
SCHEMBL17209789 0.84 JAK3 (1.00) JAK3EGFRBTKFLT3BLK
SCHEMBL10128042 0.83 EGFR (0.86) JAK3EGFRBTKFLT3BLK
SCHEMBL9946969 0.83 EGFR (0.72) JAK3EGFRBTKGAKPTK2
SCHEMBL12370973 0.82 JAK3 (0.61) JAK3EGFRBTKFLT3BLK
SCHEMBL29848430 0.82 EGFR (0.68) JAK3EGFRBTKFLT3BLK
SCHEMBL16514371 0.82 EGFR (0.68) JAK3EGFRBTKFLT3BLK

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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 JAK3 254/4885EGFR 1/4885BTK 147/4885

“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.