SCHEMBL2798342

SCHEMBL2798342

O=C(Cc1ccc(Br)cc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 2/20 0.69
NPC1 O15118 2/20 0.69
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HTT P42858 4/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GPR183 P32249 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.44

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
SCHEMBL2798346 0.87 SMN1; SMN2 (0.69) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL12459922 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL14817934 0.84 MEN1 (0.61) SMN1; SMN2HPGDMAPTALDH1A1LMNA
SCHEMBL2646798 0.83 HPGD (0.96) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL15301122 0.83 HPGD (0.90) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL2376378 0.82 SMN1; SMN2 (0.71) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL31335307 0.81 HPGD (1.00) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL13858035 0.80 SMN1; SMN2 (0.73) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL2798761 0.79 L3MBTL1 (0.72) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL2799314 0.77 JAK1 (0.46) SMN1; SMN2HPGDNPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 SMN1; SMN2 4124/4885HPGD 1877/4885NPC1 4739/4885

“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.