SCHEMBL1790658

SCHEMBL1790658

O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ncnc3c2cnn3C2CCCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.47
RAB9A P51151 3/20 0.46
MET P08581 4/20 0.45
KIT P10721 3/20 0.45
PDGFRA P16234 3/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1791783 0.86 RAB9A (0.50) MERTKRAB9AMETKITPDGFRA
SCHEMBL5107190 0.79 MET (0.40) MERTKMETFLT3
SCHEMBL2198668 0.75 MERTK (0.53) MERTKMETKITKDRFLT3
SCHEMBL2200593 0.75 CYP3A4 (0.42) RAB9AALDH1A1MEN1KMT2AMAPK1
SCHEMBL1792440 0.75 FLT3 (0.67) MERTKRAB9AKDRFLT3
SCHEMBL1128399 0.72 CYP3A4 (0.59) RAB9AALDH1A1NPC1FLT3KDM4E
SCHEMBL5825250 0.71 PDGFRA (0.77) RAB9AMETKITPDGFRAKDR
SCHEMBL1792571 0.70 RAB9A (0.56) MERTKRAB9AMETKITPDGFRA
SCHEMBL12424233 0.70 MET (0.43) RAB9AMETKITPDGFRANPC1
SCHEMBL4263700 0.68 SMN1; SMN2 (0.50) RAB9AMAPTALDH1A1MEN1KMT2A

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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
EP-1773826-A4 C-MET MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2009-06-03 EP disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
EP-1773826-A2 C-MET MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006014325-A2 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2006-02-09 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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K MERTK 1643/4885RAB9A 2198/4885MET 1479/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K MERTK 1406/4885RAB9A 1675/4885MET 2641/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MERTK 1576/4885RAB9A 1196/4885MET 312/4885
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, KDR MERTK 14/4885RAB9A 3207/4885MET 2/4885

“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.