SCHEMBL2801570

SCHEMBL2801570

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HTR2A P28223 2/20 0.45
HTR1A P08908 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SCN3A Q9NY46 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2D6 P10635 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
SCHEMBL31068420 0.94 POLB (0.51) KDM4EALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL2797649 0.88 TSHR (0.52) KDM4EHTR2AALDH1A1MAPK1CYP1A2
SCHEMBL14009979 0.85 HTR2A (0.41) KDM4EHTR2AHTR1AALDH1A1MAPK1
SCHEMBL701173 0.82 HRH3 (0.64) HTR2AALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL17075646 0.82 KDM4E (0.48) KDM4EALDH1A1HTR2BPOLBNPC1
SCHEMBL13957871 0.82 POLB (0.44) KDM4EALDH1A1HTR2BPOLBNPC1
SCHEMBL14758443 0.82 TSHR (0.62) KDM4EALDH1A1CYP1A2HTR2BKCNH2
SCHEMBL722986 0.82 SYK (0.50) KDM4EHTR2BPOLBNPC1RAB9A
SCHEMBL9906435 0.81 DGAT1 (0.47) KDM4EHTR2AALDH1A1MAPK1CYP1A2
SCHEMBL21636709 0.81 ALDH1A1 (0.58) KDM4EHTR2AALDH1A1MAPK1CYP1A2

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
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
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 KDM4E 1087/4885HTR2A 1743/4885HTR1A 1931/4885

“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.