SCHEMBL67920

SCHEMBL67920

c1ccc(-c2nc(-c3ccncc3)c[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
NOTUM Q6P988 1/20 0.50
MAPK13 O15264 8/20 0.49
MAPK12 P53778 8/20 0.49
MAPK11 Q15759 8/20 0.49
MAPK14 Q16539 8/20 0.49
RAF1 P04049 6/20 0.49
MAPK9 P45984 1/20 0.49
KDM4E B2RXH2 2/20 0.47
AR P10275 2/20 0.47
KMT2A Q03164 1/20 0.47
NPY5R Q15761 1/20 0.46
CDC7 O00311 1/20 0.45
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL28406044 1.00 GSK3B (0.57) GSK3BNOTUMMAPK13MAPK12MAPK11
SCHEMBL528246 0.90 MEN1 (0.46) GSK3BKDM4EKMT2AHPGDSALDH1A1
SCHEMBL2839049 0.89 GSK3B (0.51) GSK3BNOTUMMAPK13MAPK12MAPK11
SCHEMBL2834587 0.87 HPGDS (0.58) GSK3BNOTUMMAPK13MAPK12MAPK11
SCHEMBL4847155 0.86 HPGDS (0.43) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL7139559 0.86 HPGDS (0.43) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL17279780 0.82 MEN1 (0.43) GSK3BKDM4EKMT2ACDC7ALDH1A1
SCHEMBL8311417 0.82 GCGR (0.51) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL6268973 0.82 NPY5R (0.50) KDM4ENPY5RHPGDSALDH1A1MAPT
Pyrrole SCHEMBL28081576 0.81 MTOR (0.41) GSK3BKDM4EKMT2AHPGDSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
CN-1471523-A Imidazole derivatives as Raf kinase inhibitors ʷ 2004-01-28 CN 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 (5 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF GSK3B 355/4885NOTUM 3570/4885MAPK13 142/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GSK3B 449/4885NOTUM 4022/4885MAPK13 80/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS GSK3B 1075/4885NOTUM 4669/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS GSK3B 745/4885NOTUM 2825/4885MAPK13 197/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF GSK3B 427/4885NOTUM 4494/4885MAPK13 68/4885

“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.