SCHEMBL2800316

SCHEMBL2800316

CC1(C)OB(c2ccc(CC(=O)N3CCOCC3)c(F)c2)OC1(C)C

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.71
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
FKBP1A P62942 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2826100 0.87 ROCK1 (0.69) ROCK1KDM4EKMT2AMAPT
SCHEMBL2826103 0.87 ROCK1 (0.69) ROCK1KDM4EKMT2AMAPT
SCHEMBL9888313 0.85 ROCK1 (0.53) ROCK1KDM4EKMT2AHTTFKBP1A
SCHEMBL15878590 0.83 ROCK1 (1.00) ROCK1ALDH1A1NPC1
SCHEMBL578532 0.81 MAPT (0.56) ROCK1KMT2AHTTFKBP1AALDH1A1
SCHEMBL2797825 0.80 ROCK1 (0.48) ROCK1KDM4EKMT2AHTTALDH1A1
SCHEMBL29897647 0.80 ROCK1 (0.48) ROCK1KDM4EKMT2AHTTALDH1A1
SCHEMBL428922 0.80 CYP2A13 (0.50) ROCK1KDM4EKMT2AALDH1A1
SCHEMBL14898157 0.79 ROCK1 (0.63) ROCK1
SCHEMBL21055836 0.78 ROCK1 (0.62) ROCK1

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-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
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 ROCK1 205/4885KDM4E 1087/4885KMT2A 813/4885

“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.