SCHEMBL1467069

SCHEMBL1467069

O=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccccc3)cc2N1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
TSHR P16473 1/20 0.60
MAOA P21397 1/20 0.59
ALDH1A1 P00352 4/20 0.58
PARP1 P09874 2/20 0.57
KMT2A Q03164 1/20 0.55
MAPT P10636 4/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
SMYD3 Q9H7B4 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL1466286 0.92 GAA (0.62) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1467150 0.92 GAA (0.62) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1466178 0.92 GAA (0.62) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1466865 0.92 GAA (0.62) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1467010 0.90 GAA (0.60) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1468339 0.90 GAA (0.68) GAATSHRMAOAALDH1A1PARP1
SCHEMBL12980786 0.90 GAA (0.55) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1467226 0.90 GAA (0.59) GAATSHRMAOAALDH1A1PARP1
SCHEMBL1466671 0.90 GAA (0.59) GAATSHRMAOAALDH1A1PARP1
SCHEMBL531798 0.89 TSHR (0.74) GAATSHRMAOAALDH1A1PARP1

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 17 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
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO claimed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 US disclosed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 US disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 US disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 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 (3 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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF GAA 2494/4885TSHR 3427/4885MAOA 2411/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF GAA 1501/4885TSHR 2571/4885MAOA 1151/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS GAA 2414/4885TSHR 3752/4885MAOA 3624/4885

“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.