SCHEMBL3278992

SCHEMBL3278992

CC(C)(C)OC(=O)NCc1ccc(-c2cccc(Oc3ccnc(C#N)n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
EPHX1 P07099 2/20 0.42
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 2/20 0.40
HPN P05981 1/20 0.40
NAMPT P43490 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
SYK P43405 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL3278982 0.91 CTSS (0.40) CTSSCTSKCTSBNAMPTSUCNR1
SCHEMBL3278527 0.89 HDAC1 (0.43) HDAC1NAMPTL3MBTL1LOXLOXL2
SCHEMBL3278773 0.87 HDAC1 (0.47) HDAC1EPHX1HPNNAMPTL3MBTL1
SCHEMBL14447626 0.79 ALDH1A1 (0.41) NAMPTL3MBTL1SYK
SCHEMBL3277202 0.78 LOXL2 (0.43) LOXLOXL2
SCHEMBL3279329 0.78 PLAAT3 (0.49) HDAC1NAMPTAKT1
SCHEMBL3284339 0.77 SYK (0.51) HDAC1CTSSCTSKCTSBHPN
SCHEMBL3276910 0.76 HDAC1 (0.46) HDAC1NAMPTL3MBTL1LOXLOXL2
SCHEMBL3276870 0.76 MAOB (0.50) LOXL2
SCHEMBL2569231 0.74 HDAC1 (0.53) HDAC1EPHX1HPNNAMPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700605-B2 2-cyano-pyrimidines and-triazines as cysteine protease inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors FLOHR STEFANIE 2008-09-04 US disclosed
EP-1907368-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007009715-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2007-01-25 WO 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 (1 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-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors USP2, UCHL3, UCHL5 HDAC1 1790/4885EPHX1 2491/4885CTSS 62/4885

“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.