SCHEMBL854505

SCHEMBL854505

Cc1nn(-c2ccccc2)c2sc(C(=O)NCCCN3CCOCC3)cc12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.90
ALDH1A1 P00352 10/20 0.90
HPGD P15428 9/20 0.90
SMN1; SMN2 Q16637 4/20 0.64
HTT P42858 4/20 0.64
TSHR P16473 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 7/20 0.61
HSD17B10 Q99714 5/20 0.61
LMNA P02545 3/20 0.61
STAT3 P40763 2/20 0.61
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 3/20 0.57
GLA P06280 1/20 0.57
PKM P14618 1/20 0.57
POLB P06746 2/20 0.57
TP53 P04637 2/20 0.54
USP2 O75604 1/20 0.53

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
SCHEMBL854938 0.94 ALDH1A1 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL853835 0.86 ALDH1A1 (0.84) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL853620 0.85 ALDH1A1 (0.77) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL853189 0.84 ALDH1A1 (0.75) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL861452 0.83 KDM4E (0.68) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL855151 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL854165 0.82 ALDH1A1 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL853791 0.82 HPGD (0.72) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL852703 0.82 KDM4E (0.71) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL853525 0.81 ALDH1A1 (0.73) KDM4EALDH1A1HPGDSMN1; SMN2HTT

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 KDM4E 1398/4885ALDH1A1 2864/4885HPGD 327/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B KDM4E 1398/4885ALDH1A1 2864/4885HPGD 327/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B KDM4E 1398/4885ALDH1A1 2864/4885HPGD 327/4885

“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.