SCHEMBL5530179

SCHEMBL5530179

N#Cc1sc2sc(C#N)c(-c3ccco3)c2c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.54
ALDH1A1 P00352 12/20 0.54
HPGD P15428 7/20 0.54
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
BRCA1 P38398 1/20 0.54
MAPK10 P53779 1/20 0.54
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPT P10636 7/20 0.51
ALOX15 P16050 6/20 0.51
POLB P06746 5/20 0.51
CASP1 P29466 5/20 0.51
BLM P54132 5/20 0.51
USP2 O75604 4/20 0.51
CASP7 P55210 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL28027611 0.71 KDM4E (0.40) HSD17B10ALDH1A1HPGDMAPK1TSHR
SCHEMBL5529764 0.70 KDM4E (0.46) HSD17B10ALDH1A1HPGDMAPK1MEN1
SCHEMBL13165171 0.70 ALDH1A1 (0.57) HSD17B10ALDH1A1HPGDMAPK1TSHR
SCHEMBL26458908 0.68 MAPT (1.00) HSD17B10ALDH1A1HPGDMAPK1TSHR
SCHEMBL1848871 0.68 HSD17B10 (0.64) HSD17B10ALDH1A1HPGDMAPK1TSHR
SCHEMBL18537584 0.64 ALDH1A1 (0.56) HSD17B10ALDH1A1HPGDMAPK1TSHR
SCHEMBL6441223 0.63 ALDH1A1 (0.61) HSD17B10ALDH1A1HPGDMAPK1MEN1
SCHEMBL22722936 0.63 ALDH1A1 (1.00) HSD17B10ALDH1A1HPGDMAPK1TSHR
SCHEMBL6258393 0.59 ADORA1 (0.61) HSD17B10ALDH1A1HPGDTSHRMEN1
SCHEMBL6445065 0.58 CUL4A (0.64) HSD17B10ALDH1A1HPGDMAPK1TSHR

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-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION 2016-01-21 US disclosed
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION 2016-01-21 US disclosed
US-9220715-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2015-12-29 US disclosed
US-9220715-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2015-12-29 US disclosed
US-9119822-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2015-09-01 US disclosed
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders OMEROS CORPORATION (US) 2014-06-26 US disclosed
US-8637528-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2014-01-28 US disclosed
US-8637528-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2014-01-28 US disclosed
WO-2013176877-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2013-11-28 WO disclosed
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2013-10-10 US disclosed
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2013-10-10 US disclosed
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 US disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 US disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 US disclosed
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 US disclosed
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-05-06 US 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 (8 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-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A HSD17B10 962/4885ALDH1A1 886/4885HPGD 2880/4885
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A HSD17B10 962/4885ALDH1A1 886/4885HPGD 2880/4885
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A HSD17B10 1506/4885ALDH1A1 1653/4885HPGD 2485/4885
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders PARK7, PDE7B, PDE7A HSD17B10 1506/4885ALDH1A1 1653/4885HPGD 2485/4885
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C HSD17B10 776/4885ALDH1A1 2265/4885HPGD 360/4885
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A HSD17B10 962/4885ALDH1A1 886/4885HPGD 2880/4885
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A HSD17B10 1506/4885ALDH1A1 1653/4885HPGD 2485/4885
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C HSD17B10 776/4885ALDH1A1 2265/4885HPGD 360/4885

“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.