SCHEMBL854846

SCHEMBL854846

Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CC[C@H](C(=O)O)C3)cc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.84
NPC1 O15118 1/20 0.84
RAB9A P51151 1/20 0.84
HPGD P15428 7/20 0.76
ALDH1A1 P00352 7/20 0.76
KDM4E B2RXH2 7/20 0.76
NPSR1 Q6W5P4 3/20 0.76
LMNA P02545 2/20 0.76
GLA P06280 1/20 0.76
PKM P14618 1/20 0.76
TSHR P16473 1/20 0.76
PDE7A Q13946 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 3/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 9/20 0.57
TP53 P04637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HCRTR1 O43613 1/20 0.56

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
SCHEMBL854378 1.00 HTT (0.84) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL853669 0.95 HTT (0.90) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL854536 0.91 NPC1 (0.78) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL853890 0.91 NPC1 (0.78) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL854743 0.90 HTT (0.88) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL853038 0.90 HTT (0.96) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL854927 0.88 HTT (0.85) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL853157 0.88 HTT (0.85) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL855446 0.88 HTT (0.92) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL853759 0.88 HTT (0.92) HTTNPC1RAB9AHPGDALDH1A1

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