SCHEMBL165012

SCHEMBL165012

O=C(c1ccc(F)cc1)c1nc(Cl)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
VNN1 O95497 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
SRD5A2 P31213 1/20 0.37
AURKA O14965 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
C1R P00736 1/20 0.37
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CNR2 P34972 1/20 0.36
IGFBP3 P17936 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
SCHEMBL164944 0.87 AURKA (0.41) KDM4EHTTAURKACSNK2A1
SCHEMBL162796 0.86 ESR1 (0.45) ESR1VNN1KDM4ESRD5A2F7
SCHEMBL162042 0.82 AURKA (0.38) KDM4EHTTAURKACSNK2A1
SCHEMBL282141 0.81 C1R (0.41) KDM4EHTTF7F3C1R
SCHEMBL159829 0.79 KDM4E (0.53) KDM4EHTTAURKATDP1
SCHEMBL164973 0.79 DHODH (0.41) KDM4EHTT
SCHEMBL255856 0.74 AURKA (0.66) AURKA
SCHEMBL160999 0.73 NR4A2 (0.45) SRD5A2
SCHEMBL27845948 0.73 KDM4E (0.45) KDM4ESRD5A2F7F3C1R
SCHEMBL2531193 0.72 C1R (0.43) KDM4EHTTF7F3C1R

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 ESR1 4027/4885VNN1 3510/4885KDM4E 1357/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 ESR1 4027/4885VNN1 3510/4885KDM4E 1357/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 ESR1 4027/4885VNN1 3510/4885KDM4E 1357/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 ESR1 3027/4885VNN1 2766/4885KDM4E 4430/4885

“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.