SCHEMBL12371165

SCHEMBL12371165

C=CC(=O)Nc1cccc(Sc2nc(Nc3nc4c(cc3C)CN(C)CC4)nc3ccnn23)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.40
BTK Q06187 10/20 0.40
SRC P12931 1/20 0.38
TEC P42680 1/20 0.38
SLK Q9H2G2 1/20 0.38
JAK3 P52333 2/20 0.37
CD69 Q07108 1/20 0.37
ITK Q08881 1/20 0.36

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
SCHEMBL12396345 0.91 EGFR (0.40) EGFRBTKJAK3CD69ITK
SCHEMBL12371164 0.88 EGFR (0.40) EGFRBTKSRCTECSLK
SCHEMBL12371161 0.87 EGFR (0.39) EGFRBTKSRCTECSLK
SCHEMBL12371157 0.84 EGFR (0.43) EGFRBTKSRCTECSLK
SCHEMBL12371169 0.84 BTK (0.46) EGFRBTKSRCJAK3CD69
SCHEMBL12371148 0.83 EGFR (0.47) EGFRBTKSRCTECSLK
SCHEMBL12396330 0.82 EGFR (0.48) EGFRBTK
SCHEMBL12371144 0.80 EGFR (0.56) EGFRBTKJAK3CD69ITK
SCHEMBL12371158 0.79 EGFR (0.46) EGFRBTKSRCJAK3CD69
SCHEMBL12371159 0.79 EGFR (0.43) EGFRBTKJAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
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 (2 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 EGFR 1/4885BTK 147/4885SRC 13/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 EGFR 1/4885BTK 147/4885SRC 13/4885

“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.