SCHEMBL3278301

SCHEMBL3278301

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.58
HPN P05981 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
NAMPT P43490 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SDCBP O00560 1/20 0.45
SDC2 P34741 1/20 0.45
GRM2 Q14416 1/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.43
KDM4A O75164 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL31716389 1.00 HDAC1 (0.58) HDAC1HPNHDAC3HDAC2NAMPT
SCHEMBL16410438 0.91 BRD4 (0.51) HDAC1NAMPTGRM2CTSSCTSK
SCHEMBL18664387 0.86 HDAC1 (0.53) HDAC1HPNNAMPTL3MBTL1SDCBP
SCHEMBL2570147 0.86 HDAC1 (0.62) HDAC1HPNNAMPTL3MBTL1SDCBP
SCHEMBL29527022 0.85 GLS (0.51) HDAC1NAMPTL3MBTL1CA1KDM4A
SCHEMBL352551 0.85 GLS (0.51) HDAC1NAMPTL3MBTL1CA1KDM4A
SCHEMBL1691047 0.85 HDAC1 (0.67) HDAC1HDAC3HDAC2NAMPTL3MBTL1
SCHEMBL31716441 0.84 L3MBTL1 (0.47) HDAC1NAMPTL3MBTL1GRM2BRD4
SCHEMBL30504293 0.84 HDAC1 (0.56) HDAC1NAMPTCTSSCTSKCTSB
SCHEMBL2570189 0.84 HDAC1 (0.63) HDAC1HPNHDAC3HDAC2NAMPT

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 1790/4885HPN 494/4885HDAC3 1381/4885

“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.