SCHEMBL2958784

SCHEMBL2958784

Cc1cccc(Nc2c(C#N)sc3c2ccc(=O)n3-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PSMD14 O00487 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MMP2 P08253 1/20 0.37
PTPN7 P35236 1/20 0.37
PPARG P37231 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2947088 0.94 IDO1 (0.39) IDO1NPSR1MAPTMEN1KMT2A
SCHEMBL2959756 0.91 IDO1 (0.37) IDO1MAPTMEN1KMT2ARAB9A
SCHEMBL2959762 0.89 CDK4 (0.38) IDO1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL2958483 0.88 CYP3A4 (0.39) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2952051 0.88 IDO1 (0.38) IDO1NPSR1MAPTMEN1KMT2A
SCHEMBL2954060 0.88 NPC1 (0.37) IDO1NPSR1MAPTMEN1KMT2A
SCHEMBL2958074 0.88 MAP2K1 (0.39) MAPTSMN1; SMN2POLB
SCHEMBL2952663 0.87 EGFR (0.38) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL2960654 0.87 RAPGEF4 (0.38) IDO1NPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL2961083 0.86 MAPT (0.39) IDO1NPSR1MAPTMEN1KMT2A

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-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20080207907-A1 Reacting an aryl halide and amine; using palladium catalyst system with solvent mixture UCB PHARMA, S.A. (BE) 2008-08-28 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 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
US-20080207907-A1 Reacting an aryl halide and amine; using palladium catalyst system with solvent mixture UCB PHARMA, S.A. (BE) 2008-08-28 US disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 US disclosed
EP-1817313-A1 PROCESS FOR PD-CATALYSED C-N COUPLING IN SPECIFIC SOLVENT SYSTEMS UCB Pharma, S.A. (BE) 2007-08-15 EP disclosed
WO-2006056412-A1 PROCESS FOR PD-CATALYSED C-N COUPLING IN SPECIFIC SOLVENT SYSTEMS UCB PHARMA, S.A. (BE) 2006-06-01 WO disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US 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 (4 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 IDO1 1258/4885NPSR1 2977/4885MAPT 712/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK IDO1 100/4885NPSR1 916/4885MAPT 4305/4885
US-20080207907-A1 Reacting an aryl halide and amine; using palladium catalyst system with solvent mixture AHR, PDCD1LG2, DDT IDO1 29/4885NPSR1 650/4885MAPT 1216/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 IDO1 215/4885NPSR1 844/4885MAPT 4495/4885

“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.