SCHEMBL15534698

SCHEMBL15534698

N#Cc1c(CO)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
TNKS O95271 6/20 0.40
TNKS2 Q9H2K2 6/20 0.40
S1PR1 P21453 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO1 P14902 2/20 0.37
AR P10275 4/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
GPR183 P32249 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL15534934 0.82 P2RX7 (0.42) P2RX7TNKSTNKS2MAPTMAPK1
SCHEMBL16952962 0.80 S1PR1 (0.47) S1PR1MAPTMAPK1CACNA1BAPBA1
SCHEMBL1906819 0.80 AR (0.43) MAPTMAPK1CACNA1BAPBA1NPSR1
SCHEMBL28215006 0.77 S1PR1 (0.40) S1PR1MAPTCACNA1BAPBA1MEN1
SCHEMBL16954452 0.77 S1PR1 (0.36) S1PR1MAPTARCNR2MEN1
Trifluoroacetic Acid SCHEMBL2581954 0.77 P2RX7 (0.44) P2RX7TNKSTNKS2MAPTMAPK1
SCHEMBL3293530 0.77 P2RX7 (0.57) P2RX7TNKSTNKS2CNR2CNR1
SCHEMBL44837 0.76 IDO1 (0.57) IDO1ARKMT2A
SCHEMBL29389277 0.76 IDO1 (0.57) IDO1ARKMT2A
SCHEMBL8047261 0.76 AR (0.50) P2RX7MAPTMAPK1CACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
EP-3555088-A1 BISARYL AMIDES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2013177349-A2 QUINAZOLINEDIONES AS TANKYRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 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 (2 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 P2RX7 2463/4885TNKS 1215/4885TNKS2 1049/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 P2RX7 2463/4885TNKS 1215/4885TNKS2 1049/4885

“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.