SCHEMBL544667

SCHEMBL544667

Nc1ccnn1-c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
NR3C2 P08235 1/20 0.46
MAPK14 Q16539 2/20 0.46
KEAP1 Q14145 1/20 0.45
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NT5E P21589 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1491093 0.90 POLB (0.54) POLBNR3C2MAPK14KEAP1CYP17A1
SCHEMBL15428758 0.83 POLB (0.57) POLBNR3C2MAPK14KEAP1NPC1
SCHEMBL544287 0.79 POLB (0.61) POLBNR3C2MGLLIDO1NPC1
SCHEMBL544859 0.79 POLB (0.61) POLBMGLLNPC1MAPTRAB9A
SCHEMBL14696791 0.79 NR3C2 (0.46) POLBNR3C2MAPK14KEAP1FAAH
SCHEMBL15428751 0.79 POLB (0.61) POLBNR3C2MAPK14NPC1MAPT
SCHEMBL544860 0.79 POLB (0.61) POLBNT5ENPC1RAB9AKMT2A
SCHEMBL15779120 0.79 KEAP1 (0.45) POLBNR3C2MAPK14KEAP1FAAH
SCHEMBL12299071 0.78 POLB (0.56) POLBNR3C2CYP1A2NPC1MAPK1
SCHEMBL403594 0.78 POLB (0.56) POLBCYP1A2NPC1MAPTMAPK1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 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 (3 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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 POLB 4407/4885NR3C2 4838/4885MAPK14 3933/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 POLB 4407/4885NR3C2 4838/4885MAPK14 3933/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP POLB 4146/4885NR3C2 4728/4885MAPK14 3461/4885

“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.