SCHEMBL1695237

SCHEMBL1695237

CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2C(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.75
HPGD P15428 12/20 0.75
HSD17B10 Q99714 6/20 0.75
UBE2N P61088 2/20 0.75
MAPK1 P28482 1/20 0.75
CLK1 P49759 1/20 0.75
KDM4E B2RXH2 14/20 0.65
MAPT P10636 4/20 0.65
TSHR P16473 4/20 0.65
USP2 O75604 3/20 0.65
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 2/20 0.56
HTT P42858 2/20 0.56
CDC7 O00311 1/20 0.53
ROCK2 O75116 1/20 0.53
PIM1 P11309 1/20 0.53
GSK3B P49841 1/20 0.53
HIPK2 Q9H2X6 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.52

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
SCHEMBL1695260 0.85 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL1695292 0.81 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL1694691 0.80 KDM4E (0.56) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL12499930 0.80 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL11235489 0.79 CASP1 (0.55) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL1694952 0.78 KDM4E (0.52) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL18560018 0.78 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL14740221 0.77 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL25435732 0.75 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10UBE2NMAPK1
SCHEMBL16200737 0.74 KDM4E (0.48) ALDH1A1HPGDHSD17B10UBE2NMAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
EP-2755962-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2014-07-23 EP disclosed
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 US disclosed
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 US disclosed
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 WO disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 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 (2 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-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 ALDH1A1 114/4885HPGD 356/4885HSD17B10 945/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 ALDH1A1 114/4885HPGD 356/4885HSD17B10 945/4885

“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.