SCHEMBL853047

SCHEMBL853047

Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(CN4CCC(O)CC4)nc3)cc12

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.72
MAPT P10636 10/20 0.59
TP53 P04637 4/20 0.59
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
HPGD P15428 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 1/20 0.56
HCRTR1 O43613 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL854358 0.89 PDE7A (0.70) PDE7AMAPTTP53NPC1HTT
SCHEMBL854633 0.89 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT
SCHEMBL853272 0.86 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT
Water SCHEMBL299615 0.85 PDE7A (0.70) PDE7AMAPTTP53NPC1HTT
SCHEMBL854682 0.85 PDE7A (0.73) PDE7AMAPTTP53NPC1HTT
SCHEMBL853212 0.84 MAPT (0.69) PDE7AMAPTTP53NPC1HTT
SCHEMBL853046 0.84 PDE7A (1.00) PDE7A
SCHEMBL853735 0.83 PDE7A (0.70) PDE7AMAPTTP53NPC1HTT
SCHEMBL854732 0.81 PDE7A (0.72) PDE7AMAPTTP53NPC1HTT
SCHEMBL853087 0.80 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT

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-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
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 1/4885MAPT 4119/4885TP53 4675/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B PDE7A 1/4885MAPT 4119/4885TP53 4675/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B PDE7A 1/4885MAPT 4119/4885TP53 4675/4885

“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.