SCHEMBL2782602

SCHEMBL2782602

N#CC(S)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47

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
SCHEMBL11344840 0.79 POLB (0.53) POLBCYP1A2CYP2C19GAAKDM4E
SCHEMBL608889 0.78 POLB (0.61) POLBGAAALDH1A1MAPTMEN1
SCHEMBL9223095 0.78 ALDH1A1 (0.56) POLBCYP1A2CYP2C19GAAKDM4E
SCHEMBL28762296 0.76 POLB (0.65) POLBCYP1A2CYP2C19GAAKDM4E
SCHEMBL9751959 0.75 POLB (0.49) POLBCYP1A2CYP2C19GAAKDM4E
SCHEMBL11382873 0.75 CYP1A2 (0.59) POLBCYP1A2CYP2C19GAAKDM4E
SCHEMBL10948584 0.75 MAPT (0.61) POLBGAAALDH1A1MAPTMEN1
SCHEMBL27520092 0.75 POLB (0.57) POLBGAAALDH1A1MAPTMEN1
SCHEMBL4277952 0.75 MAPT (0.69) POLBGAAALDH1A1MAPTMEN1
SCHEMBL13767783 0.75 MAPT (0.69) POLBGAAALDH1A1MAPTMEN1

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 8 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-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 US disclosed
EP-1680429-A1 THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS Celltech R & D Limited (GB) 2006-07-19 EP disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US disclosed
WO-2005042540-A1 THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2005-05-12 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK POLB 1601/4885CYP1A2 351/4885CYP2C19 1355/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 POLB 1672/4885CYP1A2 378/4885CYP2C19 1334/4885
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 POLB 2078/4885CYP1A2 842/4885CYP2C19 798/4885

“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.