SCHEMBL545497

SCHEMBL545497

CCCCCc1nn[nH]c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
DHFR P00374 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
HCAR2 Q8TDS4 2/20 0.33
HCAR3 P49019 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL11313077 0.85
SCHEMBL5600403 0.78 MEN1 (0.37) ALDH1A1MEN1KMT2APKMHPGD
SCHEMBL460418 0.78 MEN1 (0.41) ALDH1A1MAPTGAALMNATSHR
SCHEMBL11321749 0.76
SCHEMBL5603213 0.76 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL5601887 0.76 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL11318964 0.76 MEN1 (0.40) ALDH1A1MAPTGAALMNATSHR
SCHEMBL5603360 0.76 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL5600516 0.76 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL11050350 0.76 MEN1 (0.40) ALDH1A1MEN1KMT2APKMHPGD

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 19 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-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US 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-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
EP-2240506-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2010-10-20 EP disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
EP-2148858-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 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
US-3965094-A Process for the manufacture of 2-aryl-v-triazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-22 US disclosed
US-3947412-A CYCLIZATION IN THE PRESENCE OF HEAVY METALS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-30 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 (6 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 4132/4885MAPT 2274/4885GAA 1383/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 ALDH1A1 4236/4885MAPT 2711/4885GAA 1289/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885MAPT 2274/4885GAA 1383/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885MAPT 2274/4885GAA 1383/4885
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 2930/4885MAPT 3455/4885GAA 1281/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 ALDH1A1 4304/4885MAPT 2198/4885GAA 2027/4885

“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.