SCHEMBL2040938

SCHEMBL2040938

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3[nH]ncc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.74
CTSC P53634 10/20 0.74
JAK2 O60674 2/20 0.74
JAK3 P52333 2/20 0.74
BTK Q06187 2/20 0.74
PLK4 O00444 1/20 0.74
GAK O14976 1/20 0.74
NUAK1 O60285 1/20 0.74
FLT3 P36888 1/20 0.74
BLK P51451 1/20 0.74
BMX P51813 1/20 0.74
PTK2 Q05397 1/20 0.74
ITK Q08881 1/20 0.74
ERBB4 Q15303 1/20 0.74
DCLK3 Q9C098 1/20 0.74
NUAK2 Q9H093 1/20 0.74
EML4 Q9HC35 1/20 0.74
EIF2AK4 Q9P2K8 1/20 0.74
ALK Q9UM73 1/20 0.74
JAK1 P23458 1/20 0.64

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
SCHEMBL10127995 0.90 EGFR (0.80) EGFRCTSCJAK2JAK3BTK
SCHEMBL10128162 0.89 JAK3 (0.66) EGFRCTSCJAK2JAK3BTK
SCHEMBL2014080 0.88 CTSC (0.77) EGFRCTSCJAK2JAK3BTK
SCHEMBL12398388 0.88 EGFR (0.74) EGFRCTSCJAK2JAK3BTK
SCHEMBL12371098 0.86 CTSC (0.74) EGFRCTSCJAK2JAK3BTK
SCHEMBL15130588 0.86 EGFR (0.85) EGFRCTSCJAK2JAK3BTK
SCHEMBL10128169 0.85 JAK3 (0.62) EGFRCTSCJAK2JAK3BTK
SCHEMBL12371094 0.85 EGFR (0.72) EGFRCTSCJAK2JAK3BTK
SCHEMBL29809870 0.85 EGFR (0.73) EGFRCTSCJAK2JAK3BTK
SCHEMBL93699 0.85 EGFR (1.00) EGFRCTSCJAK2JAK3BTK

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 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-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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 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
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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 (4 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885CTSC 1415/4885JAK2 14/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885CTSC 1415/4885JAK2 14/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 EGFR 1/4885CTSC 597/4885JAK2 53/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 EGFR 1/4885CTSC 597/4885JAK2 53/4885

“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.