SCHEMBL799681

SCHEMBL799681

COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.83
KDR P35968 7/20 0.83
SRC P12931 6/20 0.83
RET P07949 2/20 0.83
FLT4 P35916 2/20 0.83
BRAF P15056 2/20 0.83
EPHB4 P54760 2/20 0.83
CIT O14578 1/20 0.83
GAK O14976 1/20 0.83
EPHB6 O15197 1/20 0.83
ABCC4 O15439 1/20 0.83
DAPK3 O43293 1/20 0.83
RIPK2 O43353 1/20 0.83
NR1I2 O75469 1/20 0.83
RPS6KA4 O75676 1/20 0.83
STK17B O94768 1/20 0.83
STK10 O94804 1/20 0.83
PRKD3 O94806 1/20 0.83
ABCB11 O95342 1/20 0.83
MAP4K4 O95819 1/20 0.83

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
SCHEMBL13319081 0.94 EGFR (0.74) EGFRKDRSRCRETFLT4
SCHEMBL11304 0.93 EGFR (0.86) EGFRKDRSRCRETFLT4
SCHEMBL30416288 0.93 EGFR (0.86) EGFRKDRSRCRETFLT4
SCHEMBL22383954 0.93 EGFR (0.86) EGFRKDRSRCRETFLT4
SCHEMBL17921472 0.92 EGFR (0.71) EGFRKDRSRCRETFLT4
SCHEMBL19154598 0.92 SRC (0.80) EGFRKDRSRCRETFLT4
SCHEMBL19220796 0.92 EGFR (0.82) EGFRKDRSRCRETFLT4
SCHEMBL22667930 0.91 EGFR (0.82) EGFRKDRSRCRETFLT4
Gefitinib SCHEMBL29351336 0.91 EGFR (1.00) EGFRKDRSRCRETFLT4
Gefitinib SCHEMBL29351046 0.91 EGFR (1.00) EGFRKDRSRCRETFLT4

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
EP-3319987-B1 NOVEL P450-BM3 VARIANTS WITH IMPROVED ACTIVITY CODEXIS INC (US) 2021-05-05 EP disclosed
EP-3397618-B1 PROCESS FOR MAKING CRYSTALLINE FORM A OF GEFITINIB SYNTHON BV (NL) 2020-11-18 EP disclosed
EP-3702783-A1 METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS Analiza, Inc. (US) 2020-09-02 EP disclosed
EP-3092243-B1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2019-06-19 EP disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
US-20180147279-A1 COMBINATION THERAPY FOR NON-SMALL CELL LUNG CANCER POSITIVE FOR EGFR MUTATION MEDIMMUNE, LLC 2018-05-31 US disclosed
US-9938302-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-04-10 US disclosed
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 US disclosed
US-7977347-B2 inhibitors of epidermal growth factor receptor tyrosine kinase; anticancer; 6-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)hexanoic acid CURIS, INC. (US) 2011-07-12 US disclosed
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CAI XIONG 2011-03-03 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20100104558-A1 Use of an EGFR Antagonist for the Treatment of Glomerolonephritis INSERM (INETITUT NATIONAL DE LA SANTE ET LA RECHERCHE MEDICALE ) (FR) 2010-04-29 US disclosed
US-20090306207-A1 Treatment of Drug-Resistant Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-12-10 US disclosed
US-20090186890-A1 Pharmaceutical Formulation of Iressa Comprising a Water-Soluble Cellulose Derivative ASTRAZENECA AB (SE) 2009-07-23 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7547781-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2009-06-16 US disclosed
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 US disclosed
US-20080125448-A1 Quinazoline Based EGFR Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-05-29 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 (12 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-20100104558-A1 Use of an EGFR Antagonist for the Treatment of Glomerolonephritis EGFR, GCGR, PTPRJ EGFR 1/4885KDR 329/4885SRC 1013/4885
US-20080125448-A1 Quinazoline Based EGFR Inhibitors Containing a Zinc Binding Moiety EGFR, ERBB2, ERBB4 EGFR 1/4885KDR 75/4885SRC 62/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 EGFR 2341/4885KDR 4518/4885SRC 1384/4885
US-20180147279-A1 COMBINATION THERAPY FOR NON-SMALL CELL LUNG CANCER POSITIVE FOR EGFR MUTATION EGFR, PDCD1LG2, ERBB2 EGFR 1/4885KDR 239/4885SRC 103/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 EGFR 1/4885KDR 360/4885SRC 54/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP EGFR 1946/4885KDR 3390/4885SRC 3509/4885
US-20090186890-A1 Pharmaceutical Formulation of Iressa Comprising a Water-Soluble Cellulose Derivative SI, RPS28, GYS1 EGFR 3589/4885KDR 1384/4885SRC 1964/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB EGFR 802/4885KDR 860/4885SRC 503/4885
US-20090306207-A1 Treatment of Drug-Resistant Proliferative Disorders ARSA, KSR1, RPS6KA1 EGFR 1480/4885KDR 3108/4885SRC 2450/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 EGFR 2341/4885KDR 4518/4885SRC 1384/4885
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885KDR 321/4885SRC 36/4885
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B EGFR 763/4885KDR 3179/4885SRC 468/4885

“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.