SCHEMBL12029765

SCHEMBL12029765

Cc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(CNCCS(C)(=O)=O)o5)cc34)cc2Cl)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.87
▸ ERBB2 P04626 13/20 0.87
▸ ABCB11 O95342 2/20 0.86
▸ MEN1 O00255 1/20 0.86
▸ PIK3C2B O00750 1/20 0.86
▸ MAP2K7 O14733 1/20 0.86
▸ RIPK2 O43353 1/20 0.86
▸ PIK3C2G O75747 1/20 0.86
▸ STK10 O94804 1/20 0.86
▸ ABL1 P00519 1/20 0.86
▸ INSR P06213 1/20 0.86
▸ RET P07949 1/20 0.86
▸ CYP3A4 P08684 1/20 0.86
▸ PDGFRB P09619 1/20 0.86
▸ SRC P12931 1/20 0.86
▸ CYP3A5 P20815 1/20 0.86
▸ ERBB3 P21860 1/20 0.86
▸ CDK2 P24941 1/20 0.86
▸ KMT2A Q03164 1/20 0.86
▸ KCNH2 Q12809 1/20 0.86

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
SCHEMBL15000359 0.94 EGFR (0.81) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL19154550 0.93 EGFR (0.75) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13332770 0.93 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL14457422 0.93 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL16766960 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL8100 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29351024 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29464189 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL3232064 0.92 EGFR (0.99) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL4924110 0.92 EGFR (0.99) EGFRERBB2ABCB11MEN1PIK3C2B

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
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-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-03-15 — — US disclosed
WO-2017157825-A1 COMBINATIONS OF LSD1 INHIBITORS FOR USE IN THE TREATMENT OF SOLID TUMORS F. HOFFMANN-LA ROCHE AG (CH) 2017-09-21 — — WO disclosed
US-9717730-B2 Combinations of AKT inhibitor compounds and chemotherapeutic agents, and methods of use GENENTECH, INC. (US) 2017-08-01 — — US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 — — US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 — — US disclosed
US-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2017-06-08 — — US disclosed
US-9610289-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2017-04-04 — — US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 — — US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 — — US disclosed
US-20130109705-A1 COMBINATION NOVARTIS AG (CH) 2013-05-02 — — US disclosed
US-20130072507-A1 COMBINATION GLAXOSMITHKLINE LLC 2013-03-21 — — US disclosed
US-20120295928-A1 METHODS FOR DETECTING AND REDUCING IMPURITIES OF LAPATINIB AND SALTS THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-11-22 — — US disclosed
US-20120289701-A1 FORMS OF LAPATINIB DITOSYLATE AND PROCESSES FOR PREPARATION THEREOF METSGER LEONID (IL) 2012-11-15 — — US disclosed
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] TRAGARA PHARMACEUTICALS, INC (US) 2011-12-15 — — 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-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 — — US disclosed
US-20100063074-A1 Cancer Treatment Method SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-03-11 — — US disclosed
US-20080090242-A1 PANEL OF BIOMARKERS FOR PREDICTION OF FTI EFFICACY SCHERING CORPORATION 2008-04-17 — — US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 — — 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-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR EGFR 20/4885ERBB2 15/4885ABCB11 383/4885
US-20120295928-A1 METHODS FOR DETECTING AND REDUCING IMPURITIES OF LAPATINIB AND SALTS THEREOF SRMS, ABL1, ERBB2 EGFR 5/4885ERBB2 3/4885ABCB11 1919/4885
US-20120289701-A1 FORMS OF LAPATINIB DITOSYLATE AND PROCESSES FOR PREPARATION THEREOF ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885ABCB11 699/4885
US-20130072507-A1 COMBINATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLCO1B3, QDPR EGFR 1038/4885ERBB2 1562/4885ABCB11 44/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 EGFR 26/4885ERBB2 25/4885ABCB11 1191/4885
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ABCB11 3295/4885
US-20100063074-A1 Cancer Treatment Method ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ABCB11 2997/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 EGFR 69/4885ERBB2 2/4885ABCB11 4200/4885
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 EGFR 60/4885ERBB2 131/4885ABCB11 3528/4885
US-20130109705-A1 COMBINATION CA5A, TP53, AQP3 EGFR 1976/4885ERBB2 2041/4885ABCB11 142/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA EGFR 2/4885ERBB2 1/4885ABCB11 2120/4885

“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.

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