SCHEMBL114306

SCHEMBL114306

CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)c3c2)o1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.85
ERBB2 P04626 14/20 0.85
ABCB11 O95342 2/20 0.85
MEN1 O00255 1/20 0.85
PIK3C2B O00750 1/20 0.85
MAP2K7 O14733 1/20 0.85
RIPK2 O43353 1/20 0.85
PIK3C2G O75747 1/20 0.85
STK10 O94804 1/20 0.85
ABL1 P00519 1/20 0.85
INSR P06213 1/20 0.85
RET P07949 1/20 0.85
CYP3A4 P08684 1/20 0.85
PDGFRB P09619 1/20 0.85
SRC P12931 1/20 0.85
CYP3A5 P20815 1/20 0.85
ERBB3 P21860 1/20 0.85
CDK2 P24941 1/20 0.85
KMT2A Q03164 1/20 0.85
KCNH2 Q12809 1/20 0.85

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
SCHEMBL15099362 0.93 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2101983 0.93 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL18211401 0.92 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL12029761 0.92 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13894728 0.92 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2099119 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2102732 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29351024 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29464189 0.92 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL9975775 0.92 EGFR (0.85) 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 EP claimed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
US-20230173079-A1 Conjugate Molecules DIVERSE BIOTECH, INC. (US) 2023-06-08 US disclosed
WO-2020136671-A1 IMPROVED PROCESS FOR THE PREPARATION OF LAPATINIB BASE AND IT'S ANHYDROUS DITOSYLATE SALT NATCO PHARMA LIMITED (IN) 2020-07-02 WO 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-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-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-20160143909-A1 PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160143909-A1 PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
US-20040053946-A1 Cancer treatment method NOVARTIS AG (CH) 2004-03-18 US disclosed
US-20030220354-A1 Quinazoline ditosylate salt compounds NOVARTIS AG (CH) 2003-11-27 US disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
EP-1353693-A2 PHARMACEUTICAL COMBINATION CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT FOR THE TREATMENT OF CANCER GLAXO GROUP LIMITED (GB) 2003-10-22 EP disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed
EP-1294715-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-03-26 EP disclosed
WO-2002056912-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT GLAXO GROUP LIMITED (GB) 2002-07-25 WO disclosed
WO-2002002552-A1 QUINAZOLINE DITOSYLATE SALT COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-01-10 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 (5 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-20160143909-A1 PHARMACEUTICAL COMPOSITION ERBB2, ERBB4, ERBB3 EGFR 28/4885ERBB2 1/4885ABCB11 709/4885
US-20040053946-A1 Cancer treatment method TP53, HNMT, TOP2B EGFR 361/4885ERBB2 496/4885ABCB11 1207/4885
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-20230173079-A1 Conjugate Molecules CNR2, CNR1, MAG EGFR 50/4885ERBB2 7/4885ABCB11 2659/4885
US-20030220354-A1 Quinazoline ditosylate salt compounds ERBB4, ABL1, ERBB2 EGFR 64/4885ERBB2 3/4885ABCB11 1630/4885

“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.