SCHEMBL161366

SCHEMBL161366

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
TNF P01375 1/20 0.41
GAA P10253 1/20 0.41
NR2F2 P24468 1/20 0.41
MCL1 Q07820 1/20 0.41
KLF5 Q13887 1/20 0.41
NOD1 Q9Y239 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL164187 0.88 CSNK2A1 (0.46) KDM4EALDH1A1TSHRHSD17B10CTNNB1
SCHEMBL163749 0.81 KDM4E (0.44) KDM4EALDH1A1TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL28094499 0.80 KDM4E (0.43) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL27845975 0.80 PKM (0.38) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL164991 0.79 GRM2 (0.41) KDM4EALDH1A1CTNNB1TCF7L2MAPT
SCHEMBL175276 0.79 AURKA (0.51)
SCHEMBL176103 0.77 MEN1 (0.33) KDM4EMAPTMEN1KMT2A
SCHEMBL27845976 0.76 PSEN1 (0.39) KDM4EALDH1A1TSHRHSD17B10CTNNB1
SCHEMBL558939 0.75 LCK (0.51) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL164199 0.73 CCNE2 (0.41) KDM4EALDH1A1MAPTHTTLMNA

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-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP 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-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO 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 (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 KDM4E 1357/4885ALDH1A1 4622/4885TSHR 2215/4885
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 KDM4E 1848/4885ALDH1A1 4574/4885TSHR 2081/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885TSHR 2215/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885TSHR 2215/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 KDM4E 4430/4885ALDH1A1 425/4885TSHR 663/4885

“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.