SCHEMBL3284568

SCHEMBL3284568

CC(C)(C)OC(=O)NCc1ccc(-c2cccc(Nc3ncnc(Cl)n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.52
HDAC1 Q13547 1/20 0.48
NAMPT P43490 1/20 0.47
BRD4 O60885 2/20 0.43
CYP17A1 P05093 1/20 0.42
IGF1R P08069 1/20 0.42
CNR2 P34972 2/20 0.41
HPN P05981 1/20 0.41
MAPK8 P45983 1/20 0.40
PIK3CG P48736 1/20 0.40
GSK3B P49841 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3284339 0.86 SYK (0.51) SYKHDAC1NAMPTBRD4CYP17A1
SCHEMBL13140931 0.77 BRD4 (0.49) SYKNAMPTBRD4CNR2GSK3B
SCHEMBL3278773 0.76 HDAC1 (0.47) SYKHDAC1NAMPTHPNL3MBTL1
SCHEMBL12184281 0.75 BRD4 (0.51) SYKNAMPTBRD4CNR2
SCHEMBL13178991 0.74 BRD4 (0.46) SYKNAMPTBRD4GSK3BCAMKK2
SCHEMBL2570147 0.73 HDAC1 (0.62) HDAC1NAMPTBRD4HPNL3MBTL1
SCHEMBL13141042 0.73 BRD4 (0.46) SYKNAMPTBRD4IGF1RGSK3B
SCHEMBL1691047 0.73 HDAC1 (0.67) HDAC1NAMPTL3MBTL1
SCHEMBL31716389 0.73 HDAC1 (0.58) HDAC1NAMPTBRD4HPNL3MBTL1
SCHEMBL3278301 0.73 HDAC1 (0.58) HDAC1NAMPTBRD4HPNL3MBTL1

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 SYK 2505/4885HDAC1 1790/4885NAMPT 2605/4885

“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.