SCHEMBL2801616

SCHEMBL2801616

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 6/20 0.51
HSD17B10 Q99714 3/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL12909233 0.90 CYP2A13 (0.51) CYP2A13HSD17B10CYP2C9ALOX15KMT2A
SCHEMBL5254328 0.89 HSD17B10 (0.46) CYP2A13HSD17B10CYP2C9ALOX15KMT2A
SCHEMBL110824 0.88 CYP2A13 (0.58) CYP2A13HSD17B10CYP2C9ALOX15KDM4E
SCHEMBL2799913 0.87 KMT2A (0.49) CYP2A13KMT2AKDM4EGAAROCK1
SCHEMBL21565713 0.87 ALDH1A1 (0.42) KMT2AKDM4EPOLBMEN1LMNA
SCHEMBL29725194 0.87 ALDH1A1 (0.42) KMT2AKDM4EPOLBMEN1LMNA
SCHEMBL428922 0.86 CYP2A13 (0.50) CYP2A13HSD17B10CYP2C9ALOX15KMT2A
SCHEMBL13957653 0.86 HSD17B10 (0.43) CYP2A13HSD17B10CYP2C9ALOX15KMT2A
SCHEMBL2800281 0.84 NPC1 (0.42) CYP2A13KMT2AMEN1LMNAROCK1
SCHEMBL2800997 0.83 PDE3B (0.45) CYP2A13HSD17B10CYP2C9ALOX15KMT2A

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 11 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
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 CYP2A13 2329/4885HSD17B10 3354/4885CYP2C9 470/4885

“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.