SCHEMBL544501

SCHEMBL544501

Nc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.68
NPC1 O15118 4/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 2/20 0.67
ADORA1 P30542 9/20 0.62
ADORA2A P29274 8/20 0.62
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL24072562 0.85 RAB9A (0.53) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL20416878 0.84 RAB9A (0.53) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL235132 0.84 ADORA2A (0.76) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL544732 0.84 ALDH1A1 (0.62) NPC1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL19650271 0.83 KMT2A (0.51) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL3587631 0.82 ADORA3 (0.82) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL17107156 0.82 ALDH1A1 (0.79) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL544138 0.80 POLB (0.56) NPC1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL978340 0.80 ADORA3 (0.78) ADORA3NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL21168721 0.79 KMT2A (0.50) ADORA3NPC1KMT2ASMN1; SMN2RAB9A

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 24 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
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-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 ADORA3 1767/4885NPC1 2684/4885KMT2A 3374/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ADORA3 1767/4885NPC1 2684/4885KMT2A 3374/4885
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 ADORA3 2163/4885NPC1 3490/4885KMT2A 2131/4885

“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.