SCHEMBL852617

SCHEMBL852617

Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCC(N4CCNCC4)CC3)cc12

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.79
HTT P42858 1/20 0.79
RAB9A P51151 1/20 0.79
HPGD P15428 3/20 0.72
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 1/20 0.72
GLA P06280 1/20 0.72
PKM P14618 1/20 0.72
TSHR P16473 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
PDE7A Q13946 15/20 0.69
SMN1; SMN2 Q16637 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
SCHEMBL852740 0.91 NPC1 (0.81) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL852904 0.90 NPC1 (0.80) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL853883 0.90 NPC1 (0.80) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL852922 0.90 HTT (0.86) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL854749 0.89 NPC1 (0.79) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL853643 0.89 NPC1 (0.79) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL853954 0.89 NPC1 (0.79) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL854592 0.89 NPC1 (0.79) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL853763 0.89 NPC1 (0.79) NPC1HTTRAB9AHPGDKDM4E
SCHEMBL852523 0.89 NPC1 (0.77) NPC1HTTRAB9AHPGDKDM4E

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 NPC1 4209/4885HTT 2881/4885RAB9A 1552/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B NPC1 4209/4885HTT 2881/4885RAB9A 1552/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B NPC1 4209/4885HTT 2881/4885RAB9A 1552/4885

“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.