SCHEMBL544804

SCHEMBL544804

CCCCCn1cc(N)nn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.54
GBA1 P04062 11/20 0.46
KDR P35968 5/20 0.44

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
SCHEMBL7600967 0.98 SMPD1 (0.56) SMPD1GBA1KDR
SCHEMBL2680263 0.79
SCHEMBL16526395 0.78 SMPD1 (0.51) SMPD1GBA1
SCHEMBL19010785 0.78 GBA1 (0.41) SMPD1GBA1
SCHEMBL24783400 0.78 GBA1 (0.54) SMPD1GBA1
SCHEMBL23071430 0.77 SMPD1 (0.39) SMPD1GBA1KDR
SCHEMBL23071446 0.77 SMPD1 (0.39) SMPD1GBA1KDR
SCHEMBL23071451 0.77 SMPD1 (0.39) SMPD1GBA1KDR
SCHEMBL5021078 0.77 GBA1 (0.56) SMPD1GBA1
SCHEMBL16263567 0.77 SMPD1 (0.54) SMPD1GBA1

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 17 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

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 SMPD1 2214/4885GBA1 2240/4885KDR 4036/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 SMPD1 2623/4885GBA1 2082/4885KDR 3810/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 SMPD1 2214/4885GBA1 2240/4885KDR 4036/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 SMPD1 2214/4885GBA1 2240/4885KDR 4036/4885
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 SMPD1 2599/4885GBA1 2571/4885KDR 4034/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 SMPD1 1740/4885GBA1 2174/4885KDR 4221/4885

“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.