SCHEMBL4583225

SCHEMBL4583225

O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.88
KMT2A Q03164 5/20 0.81
TSHR P16473 2/20 0.66
MEN1 O00255 3/20 0.65
ALDH1A1 P00352 4/20 0.64
MAPK10 P53779 1/20 0.64
ATF4 P18848 1/20 0.64
ATM Q13315 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
RAB9A P51151 1/20 0.57
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL1790357 0.93 TP53 (1.00) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4592430 0.91 TP53 (0.87) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4583960 0.89 KMT2A (1.00) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4581862 0.88 TP53 (0.82) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4583136 0.88 TP53 (0.82) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4581758 0.88 TP53 (0.82) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4581543 0.88 TP53 (0.82) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4581628 0.87 KMT2A (0.81) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4583703 0.86 KMT2A (0.79) TP53KMT2ATSHRMEN1ALDH1A1
SCHEMBL4582856 0.86 KMT2A (0.83) TP53KMT2ATSHRMEN1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP claimed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US claimed
JP-2007504160-A 2007-03-01 JP claimed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP claimed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO claimed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 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 (1 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB TP53 1271/4885KMT2A 1897/4885TSHR 4140/4885

“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.