SCHEMBL163749

SCHEMBL163749

COc1ccc2c(O)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 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LCK P06239 2/20 0.37
ITK Q08881 2/20 0.37
AURKB Q96GD4 1/20 0.37
GPR35 Q9HC97 1/20 0.37
NQO2 P16083 1/20 0.37
APP P05067 1/20 0.37
TRPA1 O75762 1/20 0.37
SCD O00767 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MPO P05164 1/20 0.36
HTT P42858 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
Hydrochloric Acid SCHEMBL28094499 0.99 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL27845975 0.86 PKM (0.38) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL166304 0.85 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL164991 0.83 GRM2 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL161366 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL176103 0.81 MEN1 (0.33) KDM4EMAPTMEN1KMT2AMPO
SCHEMBL164199 0.77 CCNE2 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL173271 0.77 AURKB (0.44) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL27845976 0.75 PSEN1 (0.39) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL28094522 0.75 GRM2 (0.34) MEN1KMT2AGRM2PTGER4

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 4622/4885MAPT 3086/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885MAPT 3086/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885MAPT 3086/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 KDM4E 4430/4885ALDH1A1 425/4885MAPT 4254/4885

“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.