SCHEMBL4582210

SCHEMBL4582210

Cc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1C

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.81
KMT2A Q03164 6/20 0.78
MEN1 O00255 3/20 0.78
TP53 P04637 1/20 0.75
TSHR P16473 2/20 0.64
MAPK10 P53779 1/20 0.63
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RAB9A P51151 1/20 0.59
POLB P06746 2/20 0.57
ESR2 Q92731 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ATF4 P18848 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL1790147 0.91 KMT2A (0.72) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL4580876 0.91 KMT2A (0.72) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL15677879 0.91 KMT2A (0.72) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL23039711 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL4592430 0.88 TP53 (0.87) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL4581321 0.87 TP53 (0.78) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL4583960 0.86 KMT2A (1.00) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL4582413 0.86 KMT2A (0.84) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL4581628 0.86 KMT2A (0.81) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL4582123 0.86 TP53 (0.80) ALDH1A1KMT2AMEN1TP53TSHR

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 8 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
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US 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 ALDH1A1 2190/4885KMT2A 1897/4885MEN1 3232/4885

“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.