SCHEMBL2802074

SCHEMBL2802074

CC(C)(C)OC(=O)N1CCCC(Cn2cc(Br)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.45
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
GLS O94925 2/20 0.44
FPR2 P25090 2/20 0.43
FPR3 P25089 1/20 0.43
CYP2C9 P11712 1/20 0.43
IRAK1 P51617 1/20 0.43
ACKR3 P25106 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 1/20 0.42
KDM1A O60341 1/20 0.41
SCN9A Q15858 1/20 0.41
HPGD P15428 1/20 0.40
HPGDS O60760 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
SCHEMBL3597987 0.89 NR1H2 (0.43) IDO1TDO2FPR2
SCHEMBL14009589 0.88 FEN1 (0.46) FEN1BACE1CTSDGLSCYP2C9
SCHEMBL673128 0.87 BACE1 (0.49) FEN1BACE1CTSDGLSCYP2C9
SCHEMBL21369624 0.87 FEN1 (0.45) FEN1BACE1CTSDGLSCYP2C9
SCHEMBL1581892 0.86 FPR2 (0.48) BACE1IDO1TDO2FPR2HPGD
SCHEMBL18765124 0.86 FEN1 (0.49) FEN1BACE1CTSDGLSCYP2C9
SCHEMBL28923952 0.85 GLS (0.45) FEN1BACE1CTSDGLSCYP2C9
SCHEMBL18764696 0.83 GPR119 (0.44) FEN1BACE1CTSDGLSCYP2C9
SCHEMBL30922638 0.81 FEN1 (0.46) FEN1BACE1CTSDIDO1TDO2
SCHEMBL2795787 0.81 USP30 (0.50) FEN1BACE1CTSDGLSFPR2

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 10 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-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
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

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 FEN1 4218/4885BACE1 4797/4885CTSD 4021/4885

“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.