SCHEMBL4580876

SCHEMBL4580876

Cc1cc(NC(=O)COc2cccc(-n3cnnn3)c2)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
MEN1 O00255 4/20 0.71
TP53 P04637 1/20 0.71
ALDH1A1 P00352 3/20 0.67
NPC1 O15118 1/20 0.63
MAPT P10636 1/20 0.62
TSHR P16473 2/20 0.61
MAPK10 P53779 1/20 0.60
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RAB9A P51151 1/20 0.56
POLB P06746 3/20 0.56
CTDSP1 Q9GZU7 2/20 0.56
ESR2 Q92731 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ATF4 P18848 1/20 0.54

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
SCHEMBL4582210 0.91 ALDH1A1 (0.81) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL15677879 0.88 KMT2A (0.72) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL1790147 0.88 KMT2A (0.72) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL4581543 0.87 TP53 (0.82) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL1794021 0.86 TP53 (0.67) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL4592430 0.86 TP53 (0.87) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL4581321 0.85 TP53 (0.78) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL4583960 0.84 KMT2A (1.00) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL4581628 0.84 KMT2A (0.81) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL4582413 0.84 KMT2A (0.84) KMT2AMEN1TP53ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KMT2A 1897/4885MEN1 3232/4885TP53 1271/4885

“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.