SCHEMBL4592064

SCHEMBL4592064

O=C(O)Nc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 1/20 0.81
ATM Q13315 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
TDP1 Q9NUW8 2/20 0.78
POLB P06746 5/20 0.77
KMT2A Q03164 5/20 0.77
MEN1 O00255 2/20 0.77
ESR2 Q92731 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
ALDH1A1 P00352 2/20 0.76
TP53 P04637 1/20 0.67
CTDSP1 Q9GZU7 2/20 0.64
BLM P54132 1/20 0.63
MAPT P10636 1/20 0.62
CYP3A4 P08684 1/20 0.61
NTRK1 P04629 1/20 0.58
NTRK2 Q16620 1/20 0.58
ESR1 P03372 1/20 0.58

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
SCHEMBL1794272 0.89 ATF4 (0.79) ATF4ATMNPSR1TDP1POLB
SCHEMBL4592430 0.87 TP53 (0.87) ATF4ATMNPSR1TDP1POLB
SCHEMBL23039711 0.86 ALDH1A1 (1.00) ATF4ATMNPSR1TDP1POLB
SCHEMBL1793547 0.85 ATF4 (0.72) ATF4ATMNPSR1TDP1POLB
SCHEMBL11851882 0.84 RAB9A (0.68) ATF4ATMNPSR1KMT2AMEN1
SCHEMBL15104139 0.84 ATF4 (0.68) ATF4ATMNPSR1TDP1POLB
SCHEMBL4583225 0.81 TP53 (0.88) ATF4ATMNPSR1TDP1POLB
SCHEMBL17019881 0.81 POLB (0.78) ATF4ATMNPSR1TDP1POLB
SCHEMBL1790357 0.80 TP53 (1.00) ATF4ATMNPSR1TDP1KMT2A
SCHEMBL1789111 0.80 ATM (0.71) ATF4ATMNPSR1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US claimed
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-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 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-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 ATF4 2288/4885ATM 1332/4885NPSR1 2988/4885

“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.