SCHEMBL13616938

SCHEMBL13616938

[N-]=[N+]=NC(=O)c1cc2ccncc2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
DYRK1A Q13627 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
CLK1 P49759 1/20 0.35
IMPDH2 P12268 3/20 0.34
MAPT P10636 3/20 0.33
CBLB Q13191 1/20 0.33
HASPIN Q8TF76 2/20 0.33
CYP3A4 P08684 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CDK9 P50750 2/20 0.31
CCNT1 O60563 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31

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
SCHEMBL13616851 0.83 EGLN1 (0.43) GABRA1RET
SCHEMBL19900296 0.78 SMYD3 (0.44) IMPDH2CYP3A4CYP19A1
SCHEMBL212751 0.76 KDM4E (0.47) GABRA1DYRK1ACSNK1DCSNK1ECLK1
SCHEMBL13616837 0.75 CASP3 (0.38) GABRA1DYRK1AMAPTABL1GSK3B
SCHEMBL19900193 0.75 HIPK2 (0.41) CYP3A4MRGPRX4CYP19A1KDRGSK3B
SCHEMBL20950927 0.74 LCK (0.49) DYRK1ACSNK1DCSNK1ECLK1IMPDH2
SCHEMBL13663247 0.73 KDM4E (0.52) MAPT
SCHEMBL15610421 0.71 KDR (0.45) IMPDH2MAPTCBLBCYP3A4ABL1
SCHEMBL2056894 0.69 KDM4E (0.47) DYRK1ACSNK1DCSNK1ECLK1IMPDH2
SCHEMBL13622815 0.69 KDM4C (0.47) MAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GABRA1 2207/4885DYRK1A 4356/4885CSNK1D 754/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GABRA1 2207/4885DYRK1A 4356/4885CSNK1D 754/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GABRA1 2207/4885DYRK1A 4356/4885CSNK1D 754/4885

“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.