SCHEMBL854358

SCHEMBL854358

Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(CN4CCOCC4)nc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.70
HPGD P15428 5/20 0.65
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
MAPT P10636 10/20 0.60
TP53 P04637 4/20 0.60
HTT P42858 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HCRTR1 O43613 1/20 0.56
POLB P06746 2/20 0.56
HSD17B10 Q99714 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 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
SCHEMBL853047 0.89 PDE7A (0.72) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL854633 0.89 PDE7A (0.71) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL853839 0.88 HPGD (0.69) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL853212 0.85 MAPT (0.69) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL855145 0.83 MAPT (0.72) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL853791 0.83 HPGD (0.72) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL854357 0.82 PDE7A (1.00) PDE7A
SCHEMBL852687 0.80 SMN1; SMN2 (0.74) PDE7AHPGDKDM4EALDH1A1MAPT
SCHEMBL853563 0.80 PDE7A (0.94) PDE7A
SCHEMBL853739 0.80 MAPT (0.71) PDE7AHPGDKDM4EALDH1A1MAPT

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 10 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
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 PDE7A 1/4885HPGD 327/4885KDM4E 1398/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B PDE7A 1/4885HPGD 327/4885KDM4E 1398/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B PDE7A 1/4885HPGD 327/4885KDM4E 1398/4885

“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.