SCHEMBL2015337

SCHEMBL2015337

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2scc(-c3cccc([N+](=O)[O-])c3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.65
EGFR P00533 4/20 0.62
ALK Q9UM73 2/20 0.54
BRD4 O60885 2/20 0.54
JAK2 O60674 1/20 0.54
PLK1 P53350 2/20 0.54
TNK2 Q07912 5/20 0.51
TTK P33981 3/20 0.51
IGF1R P08069 1/20 0.49
GAK O14976 1/20 0.49
DCLK1 O15075 1/20 0.49
MAPK7 Q13164 1/20 0.49
TNK1 Q13470 1/20 0.49
LRRK2 Q5S007 1/20 0.49
DCLK2 Q8N568 1/20 0.49

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
SCHEMBL12371233 0.90 PTK2 (0.67) PTK2EGFRBRD4JAK2MAPK7
SCHEMBL2015974 0.88 EGFR (0.59) PTK2EGFRALKBRD4JAK2
SCHEMBL2267020 0.82 JAK3 (0.65) PTK2EGFRALKJAK2TTK
SCHEMBL20398850 0.78 EGFR (0.75) EGFRALKBRD4IGF1R
SCHEMBL12371236 0.77 JAK2 (0.58) PTK2BRD4JAK2MAPK7
SCHEMBL1706808 0.76 EGFR (1.00) PTK2EGFRALKJAK2GAK
SCHEMBL17205279 0.76 EGFR (0.72) EGFRALKJAK2TNK2TTK
SCHEMBL29847131 0.74 TTK (0.70) EGFRALKBRD4JAK2TNK2
SCHEMBL16514970 0.74 TTK (0.70) EGFRALKBRD4JAK2TNK2
SCHEMBL2120917 0.73 EGFR (0.93) PTK2EGFRALKJAK2GAK

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 7 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-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 PTK2 29/4885EGFR 1/4885ALK 911/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 PTK2 29/4885EGFR 1/4885ALK 911/4885

“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.