SCHEMBL2781979

SCHEMBL2781979

N#Cc1sc2c(ccc(=O)n2-c2ccccc2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
G6PD P11413 2/20 0.35
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 4/20 0.32
ADORA2A P29274 1/20 0.32
POLB P06746 1/20 0.32
BCAT1 P54687 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL2955623 0.86 KDM4E (0.36) GSK3AGSK3BALDH1A1MAPTMEN1
SCHEMBL2955547 0.86 ALDH1A1 (0.41) GSK3AGSK3BMAPK1ALDH1A1POLB
SCHEMBL2960714 0.85 EP300 (0.37) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL2780092 0.83 ALDH1A1 (0.38) ADORA1G6PDGSK3AGSK3BMAPK1
SCHEMBL2960352 0.83 KMT2A (0.39) GSK3AGSK3BALDH1A1POLBMAPT
SCHEMBL2960302 0.82 KMT2A (0.37) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL5650413 0.82 ALDH1A1 (0.42) ADORA1G6PDGSK3AGSK3BMAPK1
SCHEMBL2954022 0.82 ALDH1A1 (0.37) G6PDALDH1A1BCAT1MAPTGAA
SCHEMBL1266756 0.82 ALDH1A1 (0.37) ALDH1A1CYP2D6MAPTGAASMN1; SMN2
SCHEMBL2781649 0.79 ALDH1A1 (0.38) G6PDGSK3AGSK3BMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US disclosed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-7592455-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA S.A. (BE) 2009-09-22 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7482452-B2 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2009-01-27 US disclosed
EP-1638980-B1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES UCB PHARMA SA (BE) 2008-11-05 EP disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
CN-100390179-C Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LTD (GB) 2008-05-28 CN disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 US disclosed
US-20060025428-A1 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA S.A. (BE) 2006-02-02 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US disclosed
CN-1671715-A Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LTD (GB) 2005-09-21 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-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives MAPK3, MAP3K6, MAP4K1 ADORA1 2231/4885G6PD 1260/4885GSK3A 679/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ADORA1 264/4885G6PD 2794/4885GSK3A 1311/4885
US-20060025428-A1 Bicyclic heteroaromatic compounds as kinase inhibitors MAP2K2, MAP2K7, MAP2K6 ADORA1 3492/4885G6PD 1137/4885GSK3A 403/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ADORA1 264/4885G6PD 2890/4885GSK3A 1007/4885
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 ADORA1 2020/4885G6PD 667/4885GSK3A 444/4885

“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.