SCHEMBL1695260

SCHEMBL1695260

Cc1nn(C(C)C)c2nc(-c3ccncc3)cc(C(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 1/20 0.54
CLK1 P49759 1/20 0.54
UBE2N P61088 1/20 0.54
KDM4E B2RXH2 10/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.45
PPARA Q07869 1/20 0.43
DHODH Q02127 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL1695237 0.85 ALDH1A1 (0.75) ALDH1A1HPGDHSD17B10MAPK1CLK1
SCHEMBL26259137 0.79 PPARA (0.48) ALDH1A1HSD17B10KDM4EMAPTLMNA
SCHEMBL1694840 0.77 NR3C1 (0.41) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL12498592 0.77 KDM4E (0.42) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL1694729 0.77 PPARA (0.54) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL1695050 0.77 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2LMNADHODH
SCHEMBL16200737 0.77 KDM4E (0.48) ALDH1A1HPGDHSD17B10MAPK1CLK1
SCHEMBL10256674 0.76 EZH2 (0.60) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL10262988 0.76 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTPPARA
SCHEMBL11240735 0.75 DHODH (0.43) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2

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 19 patents. 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
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 US 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
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.