SCHEMBL482405

SCHEMBL482405

Cc1nc(-c2ccc(Br)cc2)[nH]c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.46
TNKS2 Q9H2K2 4/20 0.46
PARP2 Q9UGN5 2/20 0.46
MAPK13 O15264 4/20 0.46
GCGR P47871 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
MAPK14 Q16539 4/20 0.46
SMPD3 Q9NY59 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NR1I3 Q14994 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPY5R Q15761 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL482288 0.87 TNKS (0.42) TNKSTNKS2PARP2MAPK13GCGR
SCHEMBL28462866 0.83 SMPD3 (0.47) TNKSTNKS2MAPK13GCGRMAPK12
SCHEMBL22188752 0.82 MAPK13 (0.57) TNKSTNKS2PARP2MAPK13GCGR
SCHEMBL5274960 0.82 SMPD3 (0.46) TNKSTNKS2MAPK13GCGRMAPK12
SCHEMBL23758268 0.80 MAPK1 (0.54) TNKSTNKS2PARP2MAPK13GCGR
SCHEMBL647088 0.79 PIN1 (0.59) TNKSTNKS2SMPD3MAPTNPC1
SCHEMBL10053583 0.78 MGAM (0.50) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL23758278 0.77 KDM4E (0.54) TNKSTNKS2SMPD3MAPTNPC1
SCHEMBL28780235 0.77 MAPK13 (0.69) TNKSTNKS2MAPK13GCGRMAPK12
SCHEMBL27741801 0.77 MAPK13 (0.69) TNKSTNKS2MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
CN-105693730-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors 西格诺药品有限公司 2016-06-22 CN disclosed
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-01 US disclosed
EP-2615918-A1 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
WO-2012037298-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (3 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA TNKS 358/4885TNKS2 337/4885PARP2 261/4885
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 TNKS 769/4885TNKS2 815/4885PARP2 2073/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 TNKS 447/4885TNKS2 417/4885PARP2 276/4885

“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.