SCHEMBL853839

SCHEMBL853839

Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
PDE7A Q13946 4/20 0.68
MAPT P10636 12/20 0.66
TP53 P04637 4/20 0.64
NPC1 O15118 2/20 0.62
HTT P42858 2/20 0.62
RAB9A P51151 2/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.59
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.55
HCRTR1 O43613 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL853791 0.91 HPGD (0.72) HPGDKDM4EALDH1A1PDE7AMAPT
SCHEMBL854358 0.88 PDE7A (0.70) HPGDKDM4EALDH1A1PDE7AMAPT
SCHEMBL855145 0.88 MAPT (0.72) HPGDKDM4EALDH1A1PDE7AMAPT
SCHEMBL852687 0.85 SMN1; SMN2 (0.74) HPGDKDM4EALDH1A1PDE7AMAPT
SCHEMBL854086 0.84 MAPT (0.77) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL853909 0.83 MAPT (0.65) HPGDKDM4EALDH1A1PDE7AMAPT
SCHEMBL854340 0.83 MAPT (0.76) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL853800 0.83 MAPT (0.85) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL853167 0.82 MAPT (0.74) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL854938 0.82 ALDH1A1 (1.00) HPGDKDM4EALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP claimed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
WO-2014102497-A1 DERMATOLOGICAL COMPOSITION COMPRISING A PDE7 INHIBITOR IN A SOLUBILISED FORM, PRODUCTION METHOD THEREOF, AND USE OF SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-03 WO disclosed
WO-2014102498-A1 DERMATOLOGICAL COMPOSITION COMPRISING A PDE7 INHIBITOR IN A DISPERSED FORM, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-03 WO disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HPGD 327/4885KDM4E 1398/4885ALDH1A1 2864/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HPGD 327/4885KDM4E 1398/4885ALDH1A1 2864/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B HPGD 327/4885KDM4E 1398/4885ALDH1A1 2864/4885

“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.