SCHEMBL544287

SCHEMBL544287

Nc1ccnn1-c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ATM Q13315 1/20 0.51
NR3C2 P08235 1/20 0.47
NOTUM Q6P988 1/20 0.45
IDO1 P14902 1/20 0.45
FLT3 P36888 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPBWR1 P48145 1/20 0.42

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
SCHEMBL406517 0.83 POLB (0.57) POLBNPC1RAB9AATMNR3C2
SCHEMBL10206845 0.79 POLB (0.58) POLBNPC1RAB9AATMNR3C2
SCHEMBL544859 0.79 POLB (0.61) POLBNPC1RAB9AATMMAPT
SCHEMBL15428751 0.79 POLB (0.61) POLBNPC1RAB9ANR3C2HTT
SCHEMBL21023834 0.79 RXRA (0.50) NPC1RAB9AATMNR3C2NOTUM
SCHEMBL15663976 0.79 NR3C2 (0.47) POLBNPC1RAB9AATMNR3C2
SCHEMBL15554188 0.79 IDO1 (0.45) NPC1RAB9AATMNR3C2NOTUM
SCHEMBL544860 0.79 POLB (0.61) POLBNPC1RAB9AALDH1A1LMNA
SCHEMBL544667 0.79 POLB (0.61) POLBNPC1RAB9ANR3C2IDO1
SCHEMBL544672 0.78 POLB (0.56) POLBNPC1RAB9AATMNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP 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
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
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 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 (4 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 4407/4885NPC1 2684/4885RAB9A 1134/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 POLB 4407/4885NPC1 2684/4885RAB9A 1134/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 POLB 2697/4885NPC1 2785/4885RAB9A 869/4885
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 4146/4885NPC1 3490/4885RAB9A 1950/4885

“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.