SCHEMBL2801055

SCHEMBL2801055

Cc1cc(Br)ccc1C(C)(C)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 4/20 0.33
IDO1 P14902 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PYCR1 P32322 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
JAK2 O60674 3/20 0.31
PDPK1 O15530 2/20 0.31
HTR7 P34969 1/20 0.31
BTK Q06187 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL12083401 0.82 PTGDR2 (0.40) SIGMAR1ALDH1A1MAPK1CA1CA2
SCHEMBL4472584 0.80 RAB9A (0.38) SIGMAR1ALDH1A1MAPK1CA1CA2
SCHEMBL24633610 0.78 PDE2A (0.36) SIGMAR1ALDH1A1MAPK1CA1CA2
SCHEMBL19859263 0.78 PDE2A (0.36) SIGMAR1ALDH1A1MAPK1CA1CA2
SCHEMBL28598141 0.78 TAAR1 (0.36) SIGMAR1ALDH1A1MAPK1CA1CA2
SCHEMBL17972841 0.77 CASR (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4472574 0.77 DGAT1 (0.41) PYCR1
SCHEMBL18340658 0.77 MAPK1 (0.37) ALDH1A1MAPK1CA1CA2PYCR1
SCHEMBL29426988 0.76 KDM1A (0.42) SIGMAR1ALDH1A1MAPK1CA1CA2
SCHEMBL869450 0.76 KDM1A (0.42) SIGMAR1ALDH1A1MAPK1CA1CA2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
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-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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP 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
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
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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
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 (2 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 SIGMAR1 1063/4885ALDH1A1 3217/4885IDO1 399/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 SIGMAR1 1230/4885ALDH1A1 889/4885IDO1 2660/4885

“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.