SCHEMBL163814

SCHEMBL163814

CCOC(=O)c1nc(Cl)c2ccc(Br)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
ATM Q13315 2/20 0.44
MAPT P10636 5/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SCN9A Q15858 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 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
SCHEMBL163006 0.84 KMT2A (0.42) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL166288 0.84 TSHR (0.52) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL164965 0.83 KDM4E (0.53) SMN1; SMN2ALDH1A1MAPTHTTMEN1
SCHEMBL161315 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5469613 0.79 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1ATMMAPTMEN1
SCHEMBL24792623 0.79 KMT2A (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7495667 0.78 KMT2A (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2000832 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1ATMMAPTHTT
SCHEMBL3287907 0.78 KDM4E (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL18895359 0.77 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1ATMMAPTMEN1

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 SMN1; SMN2 2798/4885ALDH1A1 4622/4885ATM 397/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 SMN1; SMN2 2798/4885ALDH1A1 4622/4885ATM 397/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 SMN1; SMN2 2798/4885ALDH1A1 4622/4885ATM 397/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4779/4885ALDH1A1 425/4885ATM 2812/4885

“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.