SCHEMBL163352

SCHEMBL163352

Cc1ccc(C(N)=O)c(NC(=O)C(F)(F)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.45
GRIK1 P39086 2/20 0.43
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
NTRK1 P04629 2/20 0.39
NTRK2 Q16620 1/20 0.39
IKBKB O14920 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
EIF2AK2 P19525 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRM2 Q14416 1/20 0.38
GAA P10253 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
CFTR P13569 2/20 0.37

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
SCHEMBL167175 0.89 GRIK1 (0.44) GRIK1NTRK1NTRK2IKBKBKMT2A
SCHEMBL166771 0.84 MAPK10 (0.45) IKBKBKMT2AMEN1GAA
SCHEMBL165687 0.83 KDM4E (0.53) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL159515 0.81 AGTR1 (0.50) PDK1PDK2PDK3PDK4NTRK1
SCHEMBL163466 0.76 JAK2 (0.54) IKBKBKMT2AMEN1JAK2EIF2AK2
SCHEMBL165620 0.74 MAPK14 (0.51) IKBKBKMT2AMEN1JAK2EIF2AK2
SCHEMBL8686668 0.74 HPGD (0.50) KCNMA1IKBKBKMT2AMEN1
SCHEMBL163856 0.71 MAPK8 (0.45) IKBKBKMT2AMEN1GAAKCNN4
SCHEMBL166147 0.71 MAPK8 (0.60)
SCHEMBL160679 0.71 KCNN4 (0.40) NTRK1IKBKBKMT2AMEN1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US disclosed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US disclosed
US-8927711-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2015-01-06 US disclosed
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP disclosed
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2013-09-19 US disclosed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
EP-2401267-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-01-04 EP disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 US disclosed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 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 (4 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-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KCNMA1 3423/4885GRIK1 478/4885PDK1 632/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KCNMA1 3423/4885GRIK1 478/4885PDK1 632/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KCNMA1 3423/4885GRIK1 478/4885PDK1 632/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 KCNMA1 1305/4885GRIK1 629/4885PDK1 1745/4885

“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.