SCHEMBL1257102

SCHEMBL1257102

CC(C)(C)c1cc(NC(=O)Nc2cc(F)c(Br)cc2F)no1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.72
▸ NPC1 O15118 3/20 0.72
▸ MAPK14 Q16539 6/20 0.60
▸ MAPT P10636 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ATM Q13315 1/20 0.55
▸ MAPK13 O15264 1/20 0.53
▸ BRAF P15056 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CSF1R P07333 1/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ RAF1 P04049 1/20 0.48
▸ KDR P35968 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
SCHEMBL3379602 0.84 RAB9A (0.78) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL13234413 0.84 RAB9A (1.00) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL2951112 0.81 RAB9A (0.77) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL1016156 0.80 RAB9A (0.68) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL28485665 0.80 RAB9A (0.75) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL1256894 0.76 RAB9A (0.62) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL25565806 0.75 RAB9A (0.58) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL13234442 0.75 MAPT (0.71) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL19461395 0.74 RAB9A (0.63) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL13234448 0.74 MAPK14 (1.00) RAB9ANPC1MAPK14KMT2AMEN1

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 RAB9A 1902/4885NPC1 1964/4885MAPK14 1534/4885

“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.

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