SCHEMBL164187

SCHEMBL164187

COC(=O)c1ccc2c(Cl)nc(C(F)(F)c3ccc(F)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.46
KDM4E B2RXH2 5/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TNF P01375 1/20 0.40
GAA P10253 1/20 0.40
NR2F2 P24468 1/20 0.40
MCL1 Q07820 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL161366 0.88 KDM4E (0.43) CSNK2A1KDM4ECTNNB1TCF7L2MAPT
SCHEMBL163666 0.80 MEN1 (0.36) KDM4EHTTLMNASMN1; SMN2MEN1
SCHEMBL166304 0.80 KDM4E (0.44) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17941880 0.80 CSNK2A1 (0.50) CSNK2A1KDM4ECSNK2A2CSNK2BMAPT
SCHEMBL27863145 0.80 PKM (0.38) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL163386 0.78 GRM2 (0.39) KDM4ECTNNB1TCF7L2MAPTLMNA
SCHEMBL175276 0.78 AURKA (0.51)
SCHEMBL29892854 0.77 CSNK2A1 (0.47) CSNK2A1KDM4ECSNK2A2CSNK2BHTT
SCHEMBL27863146 0.76 PSEN1 (0.38) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL559538 0.75 CSNK2A1 (0.57) CSNK2A1KDM4ECSNK2A2CSNK2BHTT

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 15 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
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES 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
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES 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 (5 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 CSNK2A1 78/4885KDM4E 1357/4885CSNK2A2 63/4885
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 CSNK2A1 96/4885KDM4E 1848/4885CSNK2A2 84/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CSNK2A1 78/4885KDM4E 1357/4885CSNK2A2 63/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CSNK2A1 78/4885KDM4E 1357/4885CSNK2A2 63/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 CSNK2A1 3799/4885KDM4E 4430/4885CSNK2A2 3619/4885

“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.