SCHEMBL95068

SCHEMBL95068

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ERBB2 P04626 8/20 0.84
ERBB4 Q15303 3/20 0.84
KIT P10721 2/20 0.84
SRC P12931 2/20 0.84
ERBB3 P21860 2/20 0.84
BMPR1B O00238 1/20 0.84
CIT O14578 1/20 0.84
MAP2K7 O14733 1/20 0.84
GAK O14976 1/20 0.84
EPHB6 O15197 1/20 0.84
MAP3K7 O43318 1/20 0.84
RIPK2 O43353 1/20 0.84
STK17B O94768 1/20 0.84
STK10 O94804 1/20 0.84
ABL1 P00519 1/20 0.84
LCK P06239 1/20 0.84
FYN P06241 1/20 0.84
YES1 P07947 1/20 0.84
LYN P07948 1/20 0.84

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
SCHEMBL30415948 0.93 EGFR (0.88) EGFRERBB2ERBB4KITSRC
SCHEMBL14190829 0.93 EGFR (0.73) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL29655741 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL54837 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL29623482 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL29368458 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL2141065 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL2052123 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL30436576 0.91 EGFR (1.00) EGFRERBB2ERBB4KITSRC
SCHEMBL26055564 0.90 EGFR (0.78) EGFRERBB2ERBB4KITSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20130137774-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-05-30 US disclosed
US-8252749-B2 Methods, kits, and compositions for generating new hair follicles and growing hair FOLLICA, INC. (US) 2012-08-28 US disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 US disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-8017735-B2 Comprising one or more binding compositions comprising a member selected from a light chain amino acid sequence which comprises CDR-L1 and a heavy chain amino acid sequence which comprises CDR-H1 in association with one or more chemotherapeutic agents; cancer therapy SCHERING CORPORATION (US) 2011-09-13 US disclosed
US-20110130706-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 US disclosed
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 US disclosed
US-20110014117-A1 ANTI-IGF1R SCHERING CORPORATION 2011-01-20 US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 US disclosed
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 US disclosed
US-20100120768-A1 METHODS, KITS, AND COMPOSITIONS FOR GENERATING NEW HAIR FOLLICLES AND GROWING HAIR LIGHTHOUSE CAPITAL PARTNERS VI, L.P. 2010-05-13 US disclosed
US-20080090242-A1 PANEL OF BIOMARKERS FOR PREDICTION OF FTI EFFICACY SCHERING CORPORATION 2008-04-17 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 (11 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-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING VEGFA, KDR, FLT4 EGFR 104/4885ERBB2 173/4885ERBB4 225/4885
US-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 EGFR 87/4885ERBB2 129/4885ERBB4 690/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 EGFR 144/4885ERBB2 297/4885ERBB4 146/4885
US-20110014117-A1 ANTI-IGF1R IGF1R, IGFBP1, IGFBP2 EGFR 21/4885ERBB2 24/4885ERBB4 57/4885
US-20130137774-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ERBB4 4/4885
US-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 EGFR 2/4885ERBB2 4/4885ERBB4 6/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L EGFR 4244/4885ERBB2 3959/4885ERBB4 4274/4885
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 EGFR 60/4885ERBB2 184/4885ERBB4 810/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 EGFR 17/4885ERBB2 23/4885ERBB4 45/4885
US-20100120768-A1 METHODS, KITS, AND COMPOSITIONS FOR GENERATING NEW HAIR FOLLICLES AND GROWING HAIR NGF, HDGF, SHH EGFR 85/4885ERBB2 830/4885ERBB4 414/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 EGFR 2171/4885ERBB2 3599/4885ERBB4 4272/4885

“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.