SCHEMBL166304

SCHEMBL166304

COc1ccc2c(Cl)nc(C(F)(F)c3ccc(F)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TRPA1 O75762 2/20 0.39
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GPR35 Q9HC97 1/20 0.37
APP P05067 1/20 0.37
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ACHE P22303 1/20 0.36
LCK P06239 1/20 0.35
ITK Q08881 1/20 0.35
AURKB Q96GD4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NQO2 P16083 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL163666 0.85 MEN1 (0.36) KDM4EKMT2AMEN1ACHESMN1; SMN2
SCHEMBL163749 0.85 KDM4E (0.44) KDM4EALDH1A1NPSR1MAPTHPGD
SCHEMBL27863145 0.85 PKM (0.38) KDM4EALDH1A1NPSR1MAPTHPGD
Hydrochloric Acid SCHEMBL28094499 0.84 KDM4E (0.43) KDM4EALDH1A1NPSR1MAPTHPGD
SCHEMBL162797 0.83 TRPA1 (0.39) KDM4EALDH1A1NPSR1MAPTHPGD
SCHEMBL163386 0.83 GRM2 (0.39) KDM4EALDH1A1NPSR1MAPTKMT2A
SCHEMBL164187 0.80 CSNK2A1 (0.46) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL164157 0.77 CCNE2 (0.41) ALDH1A1MAPTKMT2AMEN1APP
SCHEMBL173271 0.77 AURKB (0.44) KDM4EALDH1A1NPSR1MAPTHPGD
SCHEMBL173976 0.75 AURKA (0.62) AURKB

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 KDM4E 1357/4885ALDH1A1 4622/4885NPSR1 4130/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885NPSR1 4130/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885NPSR1 4130/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 KDM4E 4430/4885ALDH1A1 425/4885NPSR1 301/4885

“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.