SCHEMBL14681237

SCHEMBL14681237

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc(NCCN4CCOCC4)nc3)cc2F)no1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.61
BRAF P15056 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SLC2A1 P11166 1/20 0.53
FLT3 P36888 6/20 0.51
KDR P35968 2/20 0.49
AURKA O14965 1/20 0.49
CSF1R P07333 2/20 0.48
PDGFRB P09619 2/20 0.48
KIT P10721 2/20 0.48
DDR1 Q08345 1/20 0.48
MAPK14 Q16539 1/20 0.48
PDGFRA P16234 1/20 0.48
EGFR P00533 1/20 0.48

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
SCHEMBL1257507 0.88 FLT3 (0.57) RETBRAFSLC2A1FLT3KDR
SCHEMBL1256177 0.88 SLC2A1 (0.62) RETSLC2A1FLT3KDRAURKA
SCHEMBL4409304 0.87 RET (0.55) RETBRAFNPC1RAB9ASLC2A1
SCHEMBL1255112 0.85 NPC1 (0.55) RETNPC1RAB9AFLT3KDR
SCHEMBL1256284 0.82 EGFR (0.56) RETBRAFSLC2A1FLT3KDR
SCHEMBL1255154 0.82 SLC2A1 (0.56) RETSLC2A1FLT3KDRAURKA
SCHEMBL1256857 0.80 FLT3 (0.54) RETNPC1RAB9ASLC2A1FLT3
SCHEMBL1257973 0.79 FLT3 (0.66) RETSLC2A1FLT3KDRAURKA
SCHEMBL23803456 0.78 RET (0.78) RETFLT3KDRAURKACSF1R
SCHEMBL4716379 0.77 SLC2A1 (0.55) RETBRAFSLC2A1FLT3KDR

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 1 patent. 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

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 RET 16/4885BRAF 75/4885NPC1 1964/4885

“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.