SCHEMBL2801176

SCHEMBL2801176

O=C(O)c1ccc(-c2cnc3cccc(Br)c3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PARP2 Q9UGN5 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
P4HA1 P13674 1/20 0.38
MIF P14174 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
BCHE P06276 1/20 0.37
MGAM O43451 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 2/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL2801540 0.81 PARP1 (0.39) PARP1KDM4EPARP2KMT2AMEN1
SCHEMBL31353303 0.79 RAB9A (0.47) PARP1ALDH1A1HPGDKDM4EPARP2
SCHEMBL7039533 0.74 PARP1 (0.60) PARP1ALDH1A1PARP2
SCHEMBL2801290 0.73 JAK2 (0.45) PARP1PARP2KMT2AMEN1NPC1
SCHEMBL15228659 0.71 PIM1 (0.46) PARP1ALDH1A1PARP2KMT2AMEN1
SCHEMBL24288961 0.70 MAPK1 (0.48) PARP1PARP2
SCHEMBL29589530 0.70 MAPK1 (0.48) PARP1PARP2
SCHEMBL2796631 0.70 JAK2 (0.56) ALDH1A1KDM4EJAK3
SCHEMBL13731115 0.70 P4HTM (0.64) ALDH1A1KDM4EALOX15P4HA1MIF
SCHEMBL1034874 0.70 PARP1 (0.62) PARP1ALDH1A1KDM4EPARP2BCHE

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
CN-101678020-B Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2012-08-15 CN 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
CN-101678020-A Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2010-03-24 CN 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

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 PARP1 2189/4885ALDH1A1 3217/4885HPGD 1877/4885

“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.