SCHEMBL3584801

SCHEMBL3584801

Cc1cc(C#CC(C)(C)C)ccc1C(=O)Nc1cnc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.50
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
BRAF P15056 14/20 0.45
TNIK Q9UKE5 1/20 0.44
ABL1 P00519 1/20 0.41
SRC P12931 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
SCHEMBL13544497 0.83 KIT (0.56) KITPIK3CAMTORBRAFTNIK
SCHEMBL3582343 0.82 KDR (0.57)
SCHEMBL13544321 0.80 ABL1 (0.38) KITABL1SRC
SCHEMBL3590259 0.80 ABL1 (0.38) KITPIK3CAMTORABL1SRC
SCHEMBL3591762 0.79 KDR (0.43)
SCHEMBL13544276 0.79 KDR (0.43) ABL1SRC
SCHEMBL3579041 0.76 NR3C1 (0.40)
SCHEMBL3588579 0.76 RAB9A (0.47)
SCHEMBL3585888 0.75 KIT (0.49) KITPIK3CAMTORBRAFTNIK
SCHEMBL3585886 0.75 KIT (0.49) KITPIK3CAMTORBRAFTNIK

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 9 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 claimed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
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 claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed
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 claimed
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-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 KIT 2453/4885PIK3CA 1258/4885MTOR 1888/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 KIT 2713/4885PIK3CA 1156/4885MTOR 1995/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 KIT 2713/4885PIK3CA 1156/4885MTOR 1995/4885

“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.