SCHEMBL4724657

SCHEMBL4724657

CC(C)(C)OC(=O)Nc1c(I)sc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
NCOA1 Q15788 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP17A1 P05093 3/20 0.40
ATR Q13535 1/20 0.40
LATS1 O95835 5/20 0.38
RAB9A P51151 1/20 0.38
LATS2 Q9NRM7 1/20 0.37
LCK P06239 4/20 0.37
RPS6KB1 P23443 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
SCHEMBL5622407 0.82 KDM4E (0.45) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL4765913 0.80 NAMPT (0.47) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL4721930 0.80 BRAF (0.50) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL4722119 0.80 KDM4E (0.43) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL5622143 0.78 KDM4E (0.45) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL5620688 0.78 KDM4E (0.42) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL4763709 0.78 KDM4E (0.44) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL5622141 0.76 SELE (0.42) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL4037373 0.72 NAMPT (0.47) NAMPTCYP17A1ATRRAB9A
SCHEMBL30759207 0.72 NAMPT (0.47) NAMPTCYP17A1ATRLATS1RAB9A

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
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP claimed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO claimed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US claimed
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF NAMPT 1600/4885KDM4E 3956/4885ALDH1A1 1842/4885

“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.