SCHEMBL1257147

SCHEMBL1257147

CC1(C)OB(c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.53
FLT3 P36888 1/20 0.44
GAPDH P04406 1/20 0.42
CACNA1H O95180 9/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.39
F11 P03951 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL1255879 0.88 GAPDH (0.47) KITGAPDHCACNA1HKDM4EF11
SCHEMBL18463666 0.87 KIT (0.51) KITFLT3GAPDHCACNA1H
SCHEMBL18463706 0.87 KIT (0.49) KITFLT3
SCHEMBL16537266 0.87 KIT (0.57) KITFLT3
SCHEMBL1257209 0.84 GAPDH (0.42) KITGAPDHCACNA1HKDM4EF2
SCHEMBL18463667 0.84 KIT (0.46) KITFLT3
SCHEMBL1257770 0.83 GAPDH (0.45) KITGAPDHCACNA1HKDM4E
SCHEMBL1256264 0.82 KIT (0.56) KITFLT3GAPDHCACNA1HKDM4E
SCHEMBL1256308 0.82 GAPDH (0.44) KITFLT3GAPDHKDM4EF2
SCHEMBL1257268 0.79 FLT3 (0.54) FLT3GAPDHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725465-B2 Biaryl acetamide compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-08 US disclosed
EP-3039021-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2016-07-06 EP disclosed
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-03-05 US disclosed
WO-2015031613-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-03-05 WO disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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 (2 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-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF ERBB2, ERBB3, AADAC KIT 1109/4885FLT3 30/4885GAPDH 1574/4885
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R KIT 4/4885FLT3 1/4885GAPDH 1316/4885

“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.