SCHEMBL1255879

SCHEMBL1255879

CC1(c2cc(NC(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.47
KDM4E B2RXH2 1/20 0.44
KIT P10721 1/20 0.40
LIPG Q9Y5X9 6/20 0.39
LPL P06858 5/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F11 P03951 1/20 0.38
KLK7 P49862 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ROCK1 Q13464 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL1257770 0.93 GAPDH (0.45) GAPDHKDM4EKITLIPGLPL
SCHEMBL1257209 0.88 GAPDH (0.42) GAPDHKDM4EKITLIPGLPL
SCHEMBL1257147 0.88 KIT (0.53) GAPDHKDM4EKITF11CACNA1H
SCHEMBL1255093 0.82 GAPDH (0.52) GAPDHKDM4EKITMEN1KMT2A
SCHEMBL1257268 0.82 FLT3 (0.54) GAPDHKDM4EROCK1
SCHEMBL1256308 0.79 GAPDH (0.44) GAPDHKDM4EKITF11ROCK1
SCHEMBL1255130 0.78 GAPDH (0.50) GAPDHKDM4EKITMEN1KMT2A
SCHEMBL1256170 0.75 KIT (0.49) GAPDHKDM4EKITMEN1KMT2A
SCHEMBL1256126 0.75 ALDH1A1 (0.46) GAPDHLIPGLPLHIF1AKMT2A
SCHEMBL5868157 0.74 CDK2 (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R GAPDH 1316/4885KDM4E 1761/4885KIT 4/4885

“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.