SCHEMBL160679

SCHEMBL160679

NC(=O)c1cccc(F)c1NC(=O)C(F)(F)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.40
MEN1 O00255 1/20 0.39
IKBKB O14920 1/20 0.39
JAK2 O60674 1/20 0.39
EIF2AK2 P19525 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
IL2 P60568 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
PIM1 P11309 1/20 0.37
BAD Q92934 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NTRK1 P04629 1/20 0.37
AGTR1 P30556 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK10 P53779 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
SCHEMBL159515 0.81 AGTR1 (0.50) KCNN4MEN1KMT2ANTRK1AGTR1
SCHEMBL167175 0.75 GRIK1 (0.44) KCNN4MEN1IKBKBJAK2EIF2AK2
SCHEMBL29221098 0.73 HDAC1 (0.49) MEN1KMT2ATDP1LMNAPIM1
SCHEMBL166147 0.73 MAPK8 (0.60) MAPK10
SCHEMBL163352 0.71 KCNMA1 (0.45) KCNN4MEN1IKBKBJAK2EIF2AK2
SCHEMBL161330 0.70 JAK2 (0.39) JAK2LMNAKDM4EMAPK10P2RX7
SCHEMBL163466 0.70 JAK2 (0.54) MEN1IKBKBJAK2EIF2AK2KMT2A
SCHEMBL20355746 0.70 GAA (0.47) IKBKBJAK2KMT2APIM1BAD
SCHEMBL173659 0.69 ALDH1A1 (0.39) KCNN4JAK2LMNA
SCHEMBL5740555 0.69 KCNN4 (0.48) KCNN4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837560-A JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF 埃姆比特生物科学公司 2016-08-10 CN disclosed
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 KCNN4 4661/4885MEN1 3143/4885IKBKB 315/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KCNN4 4661/4885MEN1 3143/4885IKBKB 315/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KCNN4 4661/4885MEN1 3143/4885IKBKB 315/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 KCNN4 1806/4885MEN1 4218/4885IKBKB 1224/4885

“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.