SCHEMBL854891

SCHEMBL854891

CNC(=O)C1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.71
HPGD P15428 10/20 0.71
NPSR1 Q6W5P4 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
LMNA P02545 5/20 0.71
USP2 O75604 2/20 0.71
POLB P06746 2/20 0.71
CREBBP Q92793 2/20 0.71
TSHR P16473 6/20 0.68
HTT P42858 5/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
KDM4E B2RXH2 9/20 0.62
GLA P06280 1/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 5/20 0.58
RECQL P46063 1/20 0.57
MAPT P10636 5/20 0.54
ESR1 P03372 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL853085 0.90 ALDH1A1 (0.77) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL853148 0.85 ALDH1A1 (0.68) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL854927 0.83 HTT (0.85) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL3867027 0.80 ALDH1A1 (0.77) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL854890 0.80 PDE7A (0.72)
SCHEMBL853430 0.79 KDM4E (0.76) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL853404 0.77 HTT (0.84) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL854743 0.77 HTT (0.88) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL852857 0.77 ALDH1A1 (0.71) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL853625 0.77 HTT (0.83) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA

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 ALDH1A1 2864/4885HPGD 327/4885NPSR1 1434/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885HPGD 327/4885NPSR1 1434/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885HPGD 327/4885NPSR1 1434/4885

“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.