SCHEMBL3406006

SCHEMBL3406006

COCCNS(=O)(=O)c1cc(Br)c(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 3/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 3/20 0.45
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
GSTO1 P78417 1/20 0.41
ALOX15 P16050 1/20 0.41
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 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
SCHEMBL1348432 0.81 CYP2C9 (0.50) POLBALDH1A1PKMTSHRKMT2A
SCHEMBL1347146 0.80 ALDH1A1 (0.43) ALDH1A1PKMGSTO1GAA
SCHEMBL1348279 0.75 ALOX5AP (0.46) BRD4
SCHEMBL8060863 0.75 ALDH1A1 (0.52) SMN1; SMN2USP2POLBALDH1A1LMNA
SCHEMBL30876277 0.74 ZAP70 (0.38) ALDH1A1LMNA
SCHEMBL386556 0.74 ALDH1A1 (0.43) ALDH1A1PKMGSTO1GAA
SCHEMBL23358172 0.72 CA2 (0.34) SMN1; SMN2LMNAPKMTSHRKMT2A
SCHEMBL3409057 0.72 CNR2 (0.46)
SCHEMBL3408355 0.72 ALOX5AP (0.53)
SCHEMBL16142981 0.71 ALOX5AP (0.40) SMN1; SMN2ALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 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 (2 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 SMN1; SMN2 3824/4885USP2 4458/4885POLB 2772/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 SMN1; SMN2 3824/4885USP2 4458/4885POLB 2772/4885

“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.