SCHEMBL12371169

SCHEMBL12371169

C=CC(=O)Nc1cccc(Oc2nc(Nc3nc4c(cc3C)CN(C)CC4)nc3ccnn23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.46
JAK3 P52333 6/20 0.46
CD69 Q07108 1/20 0.46
EGFR P00533 13/20 0.44
KCNH2 Q12809 2/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL12396344 0.92 BTK (0.46) BTKJAK3CD69EGFRKCNH2
SCHEMBL12371158 0.89 EGFR (0.46) BTKJAK3CD69EGFRKCNH2
SCHEMBL12371162 0.88 BTK (0.47) BTKJAK3CD69EGFRKCNH2
SCHEMBL12371163 0.84 BTK (0.46) BTKJAK3CD69EGFRKCNH2
SCHEMBL12371165 0.84 EGFR (0.40) BTKJAK3CD69EGFRSRC
SCHEMBL12396400 0.83 EGFR (0.49) BTKJAK3CD69EGFRJAK2
SCHEMBL12371146 0.83 EGFR (0.53) BTKJAK3CD69EGFRKCNH2
SCHEMBL12396397 0.82 CTSC (0.46) BTKJAK3CD69EGFRJAK2
SCHEMBL12371147 0.80 BTK (0.58) BTKJAK3CD69EGFRKCNH2
SCHEMBL12396275 0.79 CTSC (0.46) BTKJAK3CD69EGFRKCNH2

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 BTK 147/4885JAK3 254/4885CD69 3466/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 BTK 147/4885JAK3 254/4885CD69 3466/4885

“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.