SCHEMBL544732

SCHEMBL544732

CC(=O)Nc1nc(-c2ccccc2)c(N)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
GAA P10253 2/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
PIK3CG P48736 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 1/20 0.52
XIAP P98170 3/20 0.52
DYRK1A Q13627 1/20 0.51

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
SCHEMBL24073767 0.86 ALDH1A1 (0.57) ALDH1A1GAAPOLBKMT2AMAPT
SCHEMBL544138 0.84 POLB (0.56) ALDH1A1GAAPOLBKMT2AMAPT
SCHEMBL10206293 0.84 ABL1 (0.58) ALDH1A1GAAPOLBKMT2AMAPT
SCHEMBL544501 0.84 ADORA3 (0.68) ALDH1A1POLBKMT2AMEN1ADORA2A
SCHEMBL15086878 0.83 ALOX5 (0.74) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL4110096 0.83 ALDH1A1 (0.82) ALDH1A1GAAPOLBKMT2AMAPT
SCHEMBL14037230 0.82 ALDH1A1 (0.73) ALDH1A1GAAKMT2AMEN1CYP1A2
SCHEMBL15064944 0.82 KMT2A (0.70) ALDH1A1GAAPOLBKMT2AMAPT
SCHEMBL544015 0.81 ALDH1A1 (0.77) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL543635 0.80 POLB (0.51) ALDH1A1GAAPOLBKMT2AMAPT

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 20 patents. 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-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 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
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
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 ALDH1A1 4132/4885GAA 1383/4885POLB 4407/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885GAA 1383/4885POLB 4407/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885GAA 1383/4885POLB 4407/4885
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 ALDH1A1 2930/4885GAA 1281/4885POLB 4146/4885

“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.