SCHEMBL2019205

SCHEMBL2019205

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cccc([N+](=O)[O-])c2)c2ccccc2n1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.75
PTK2 Q05397 6/20 0.66
NUAK2 Q9H093 3/20 0.52
NUAK1 O60285 2/20 0.52
PLK4 O00444 1/20 0.51
GAK O14976 1/20 0.51
JAK2 O60674 1/20 0.51
FLT3 P36888 1/20 0.51
BLK P51451 1/20 0.51
BMX P51813 1/20 0.51
JAK3 P52333 1/20 0.51
CTSC P53634 1/20 0.51
BTK Q06187 1/20 0.51
ITK Q08881 1/20 0.51
ERBB4 Q15303 1/20 0.51
DCLK3 Q9C098 1/20 0.51
EML4 Q9HC35 1/20 0.51
EIF2AK4 Q9P2K8 1/20 0.51
ALK Q9UM73 1/20 0.51

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
SCHEMBL14915569 0.88 EGFR (0.74) EGFRPTK2NUAK2NUAK1BTK
SCHEMBL2014378 0.87 EGFR (0.73) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL1706808 0.86 EGFR (1.00) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL12396309 0.86 PTK2 (0.70) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL19820313 0.84 EGFR (0.68) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL2267061 0.83 EGFR (0.67) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL2044932 0.83 EGFR (0.71) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL2120917 0.83 EGFR (0.93) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL23243738 0.83 EGFR (0.78) EGFRPTK2NUAK2NUAK1PLK4
SCHEMBL2014080 0.81 CTSC (0.77) EGFRPTK2NUAK2NUAK1PLK4

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 10 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-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-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
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 EGFR 1/4885PTK2 29/4885NUAK2 1137/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 EGFR 1/4885PTK2 29/4885NUAK2 1137/4885

“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.