SCHEMBL173853

SCHEMBL173853

NC(=O)c1ccccc1NC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.49
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
AGTR1 P30556 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CLCN2 P51788 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL3843266 0.82 FABP4 (0.52) ALDH1A1HPGDHSD17B10CLCN2
SCHEMBL10647665 0.82 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL7223232 0.81 KDM4E (0.54) SIRT2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14215791 0.81 CES1 (0.45) KDM4EALDH1A1SMN1; SMN2POLBMAPT
Fluoride Ion SCHEMBL10900121 0.79 PDK1 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL8645992 0.78 KDM4E (0.55) SIRT2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10424663 0.77 SIRT2 (0.62) SIRT2KDM4EALDH1A1HPGDMAPT
SCHEMBL9921482 0.77 KDM4E (0.56) SIRT2KDM4EALDH1A1HPGDAGTR1
SCHEMBL175535 0.77 KDM4E (0.56) SIRT2KDM4EALDH1A1HPGDAGTR1
SCHEMBL5517881 0.76 CDC7 (0.44) SIRT2KDM4EALDH1A1AGTR1SMN1; SMN2

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
CN-107325019-B Aryl amine benzamide compound and N- aryl-aryl amine benzamide compound preparation method 石河子大学 2019-11-22 CN disclosed
CN-107325019-A The preparation method of aryl amine benzamide compound and N aryl aryl amine benzamide compounds 石河子大学 2017-11-07 CN disclosed
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 SIRT2 1153/4885KDM4E 1840/4885ALDH1A1 4588/4885

“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.