SCHEMBL164965

SCHEMBL164965

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 9/20 0.53
HPGD P15428 8/20 0.53
SHMT2 P34897 1/20 0.52
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
PRNP P04156 1/20 0.46
SCN9A Q15858 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
GAA P10253 4/20 0.44
GLA P06280 2/20 0.44
MAOB P27338 3/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL3996643 0.90 SHMT2 (0.54) KDM4EALDH1A1HPGDSHMT2TP53
SCHEMBL163006 0.83 KMT2A (0.42) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL166288 0.83 TSHR (0.52) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL163814 0.83 SMN1; SMN2 (0.50) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL161315 0.80 SMN1; SMN2 (0.61) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL16505601 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDSHMT2SMN1; SMN2
SCHEMBL24792623 0.78 KMT2A (0.47) ALDH1A1SHMT2TP53SMN1; SMN2MEN1
SCHEMBL7495667 0.77 KMT2A (0.54) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL3287907 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL174307 0.76 SHMT2 (0.58) KDM4EALDH1A1HPGDSHMT2TP53

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 4622/4885HPGD 2633/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885HPGD 2633/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 KDM4E 1357/4885ALDH1A1 4622/4885HPGD 2633/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 KDM4E 4430/4885ALDH1A1 425/4885HPGD 561/4885

“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.