SCHEMBL12396397

SCHEMBL12396397

C=CC(=O)Nc1cccc(Oc2cc(Nc3nc4c(cc3OC)CN(C)CC4)nc3ccnn23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 11/20 0.46
EGFR P00533 8/20 0.45
SRC P12931 2/20 0.43
JAK3 P52333 3/20 0.42
BTK Q06187 3/20 0.42
CD69 Q07108 1/20 0.42
ITK Q08881 2/20 0.42
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
NUAK1 O60285 1/20 0.42
JAK2 O60674 1/20 0.42
FLT3 P36888 1/20 0.42
BLK P51451 1/20 0.42
BMX P51813 1/20 0.42
PTK2 Q05397 1/20 0.42
ERBB4 Q15303 1/20 0.42
DCLK3 Q9C098 1/20 0.42
NUAK2 Q9H093 1/20 0.42
EML4 Q9HC35 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42

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
SCHEMBL12371158 0.92 EGFR (0.46) CTSCEGFRSRCJAK3BTK
SCHEMBL12396344 0.90 BTK (0.46) CTSCEGFRJAK3BTKCD69
SCHEMBL12396398 0.86 EGFR (0.39) CTSCEGFRJAK3BTKITK
SCHEMBL12398403 0.84 CTSC (0.47) CTSCEGFRSRCJAK3BTK
SCHEMBL12396274 0.84 CTSC (0.56) CTSCEGFRJAK3BTKCD69
SCHEMBL12371169 0.82 BTK (0.46) CTSCEGFRSRCJAK3BTK
SCHEMBL12396345 0.80 EGFR (0.40) EGFRJAK3BTKCD69ITK
SCHEMBL12396400 0.79 EGFR (0.49) CTSCEGFRJAK3BTKCD69
SCHEMBL12635774 0.79 JAK3 (0.36) EGFRJAK3BTKITKJAK2
SCHEMBL12371152 0.78 EGFR (0.46) CTSCEGFRSRCJAK3BTK

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 CTSC 597/4885EGFR 1/4885SRC 13/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 CTSC 597/4885EGFR 1/4885SRC 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.