SCHEMBL1255938

SCHEMBL1255938

CC(C)(c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cn2)no1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPK14 Q16539 3/20 0.44
▸ KIT P10721 5/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RIPK1 Q13546 2/20 0.43
▸ FLT3 P36888 5/20 0.42
▸ BRAF P15056 3/20 0.42
▸ CSF1R P07333 3/20 0.42
▸ RET P07949 2/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ DDR1 Q08345 2/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ LCK P06239 1/20 0.42

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
SCHEMBL14674383 0.92 KDR (0.54) KDRNPC1RAB9AMAPK14KIT
SCHEMBL1257220 0.89 KDR (0.57) KDRNPC1RAB9AMAPK14MEN1
SCHEMBL1257294 0.86 KDR (0.45) KDRNPC1RAB9AMAPK14MEN1
SCHEMBL14674327 0.83 RET (0.51) KDRKITFLT3CSF1RRET
Acetic Acid SCHEMBL1255098 0.81 KIT (0.49) KDRKITFLT3CSF1RRET
SCHEMBL1257493 0.80 MAPK14 (0.47) KDRMAPK14BRAFRETABL1
SCHEMBL1255958 0.80 KDR (0.67) KDRNPC1RAB9AMAPK14KIT
SCHEMBL1255991 0.80 NEK7 (0.49) KDRNPC1RAB9AKITFLT3
SCHEMBL1256157 0.79 RIPK1 (0.52) KDRNPC1RAB9AMAPK14KIT
SCHEMBL1256029 0.79 RIPK1 (0.52) KDRNPC1RAB9AMAPK14KIT

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 9 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 claimed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 — — EP claimed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 — — WO claimed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 — — US disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 — — US 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
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 KDR 27/4885NPC1 1964/4885RAB9A 1902/4885

“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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