SCHEMBL544893

SCHEMBL544893

CCCCCn1cncc1N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 16/20 0.49
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL8591844 0.78 QPCT (0.43) TLR8ALDH1A1KMT2ATBXAS1
SCHEMBL1011992 0.77 TBXAS1 (0.43) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL9822957 0.77 TBXAS1 (0.43) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL28220941 0.77 TBXAS1 (0.43) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL1075247 0.76 TBXAS1 (0.47) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL6926318 0.74 CYP11B1 (0.42) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL18250319 0.74 TBXAS1 (0.41) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL10626111 0.74 TLR8 (0.39) TLR8ALDH1A1TDP1KMT2ATBXAS1
SCHEMBL5369228 0.74
SCHEMBL18366013 0.73 TNF (0.51) ALDH1A1TBXAS1

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-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
CN-101970457-A IAP inhibitors GENENTECH INC 2011-02-09 CN 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
CN-101687787-A Inhibitors of iap GENENTECH INC 2010-03-31 CN 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
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
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 TLR8 4604/4885ALDH1A1 4132/4885TDP1 1100/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 TLR8 4624/4885ALDH1A1 4236/4885TDP1 1048/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 TLR8 4604/4885ALDH1A1 4132/4885TDP1 1100/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 TLR8 4604/4885ALDH1A1 4132/4885TDP1 1100/4885
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 TLR8 4162/4885ALDH1A1 2930/4885TDP1 1042/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 TLR8 4625/4885ALDH1A1 4304/4885TDP1 1225/4885

“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.