SCHEMBL3589720

SCHEMBL3589720

Nc1ccc2[nH]nc(CO)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
AXL P30530 3/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
JAK2 O60674 3/20 0.41
PDPK1 O15530 3/20 0.41
AURKA O14965 1/20 0.39
MAP2K4 P45985 3/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK1 Q13464 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL2914448 0.86 AXL (0.47) GSK3BAXLJAK2PDPK1AURKA
SCHEMBL4215847 0.84 GSK3B (0.49) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL3148628 0.82 GSK3B (0.47) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL3352618 0.82 GSK3B (0.51) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL22890775 0.81 GSK3B (0.48) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL7581326 0.80 LMNA (0.49) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL6016427 0.79 SMN1; SMN2 (0.53) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL1140859 0.79 MAP2K4 (0.39) GSK3BJAK2PDPK1MAP2K4MAPK1
SCHEMBL5952447 0.79 MAP2K4 (0.60) MAP2K4KDM4EALDH1A1MAPTHPGD
SCHEMBL1271820 0.79 PDPK1 (0.58) GSK3BAXLHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
CN-101171015-A Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS INC (US) 2008-04-30 CN disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 GSK3B 4333/4885AXL 4133/4885HTR2A 1732/4885
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 GSK3B 4246/4885AXL 4103/4885HTR2A 1550/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 GSK3B 4246/4885AXL 4103/4885HTR2A 1550/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 GSK3B 4246/4885AXL 4103/4885HTR2A 1550/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 GSK3B 4246/4885AXL 4103/4885HTR2A 1550/4885

“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.