SCHEMBL12371056

SCHEMBL12371056

C=CC(=O)Nc1cccc(Oc2cc(Nc3cc4c(cc3Br)CN(C)CC4)[nH]n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.47
EGFR P00533 9/20 0.46
SRC P12931 2/20 0.46
JAK3 P52333 5/20 0.44
JAK2 O60674 3/20 0.44
BLK P51451 2/20 0.44
BMX P51813 2/20 0.44
BTK Q06187 5/20 0.43
KCNH2 Q12809 2/20 0.43
JAK1 P23458 1/20 0.43
NUAK1 O60285 2/20 0.43
PLK4 O00444 1/20 0.43
GAK O14976 1/20 0.43
FLT3 P36888 1/20 0.43
PTK2 Q05397 1/20 0.43
ITK Q08881 1/20 0.43
ERBB4 Q15303 1/20 0.43
DCLK3 Q9C098 1/20 0.43
NUAK2 Q9H093 1/20 0.43
EML4 Q9HC35 1/20 0.43

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
SCHEMBL12371059 0.92 EGFR (0.48) CTSCEGFRSRCJAK3JAK2
SCHEMBL12398963 0.90 CTSC (0.55) CTSCEGFRSRCJAK3JAK2
SCHEMBL12371063 0.84 CTSC (0.63) CTSCEGFRSRCJAK3JAK2
SCHEMBL12371057 0.82 CTSC (0.50) CTSCEGFRSRCJAK3JAK2
SCHEMBL12371062 0.78 CTSC (0.64) CTSCEGFRSRCJAK3JAK2
SCHEMBL12398966 0.78 CTSC (0.76) CTSCEGFRJAK3JAK2BLK
SCHEMBL12371061 0.77 CTSC (0.51) CTSCEGFRSRCJAK3JAK2
SCHEMBL12398969 0.76 CTSC (0.59) CTSCEGFRJAK3JAK2BLK
SCHEMBL12370964 0.73 CTSC (0.48) CTSCEGFRSRCJAK3JAK2
SCHEMBL12396356 0.72 CTSC (0.51) CTSCEGFRJAK3JAK2BLK

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 6 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-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
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
WO-2011079231-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH GATEKEEPER PHARMACEUTICAL, INC. (US) 2011-06-30 WO 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.