SCHEMBL165687

SCHEMBL165687

COC(=O)c1ccc(C(N)=O)c(NC(=O)C(F)(F)c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.53
ALDH1A1 P00352 10/20 0.45
MAPT P10636 5/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 4/20 0.44
ATM Q13315 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CFTR P13569 1/20 0.43
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL167175 0.85 GRIK1 (0.44) KDM4EALDH1A1NPC1RAB9ACFTR
SCHEMBL166771 0.85 MAPK10 (0.45) KDM4EMAPTTSHRNPC1RAB9A
SCHEMBL163352 0.83 KCNMA1 (0.45) CFTRPDK1PDK2PDK3PDK4
SCHEMBL159515 0.77 AGTR1 (0.50) KDM4EALDH1A1TSHRHPGDNPC1
SCHEMBL5209585 0.72 KDM4E (0.63) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL1298608 0.71 KDM4E (0.39) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL28180282 0.71 HDAC1 (0.62) TSHRNPC1RAB9ACYP1A2CYP2D6
SCHEMBL165620 0.71 MAPK14 (0.51) NPC1RAB9ACYP1A2CYP2C19CFTR
SCHEMBL163466 0.70 JAK2 (0.54) ALDH1A1MAPTCFTRKMT2AMEN1
SCHEMBL558695 0.70 KDM4E (0.68) KDM4EALDH1A1MAPTHSD17B10TSHR

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-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 KDM4E 1357/4885ALDH1A1 4622/4885MAPT 3086/4885
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 KDM4E 1848/4885ALDH1A1 4574/4885MAPT 3406/4885
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.