SCHEMBL861892

SCHEMBL861892

CCC(Sc1c(C=O)c(C)nn1C1CCCCC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE7A Q13946 7/20 0.32
ALOX5 P09917 2/20 0.31
PTGES O14684 1/20 0.31
PTGS2 P35354 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
NR3C1 P04150 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FPR1 P21462 1/20 0.31

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
SCHEMBL861730 0.99 MEN1 (0.36) MEN1KMT2AHPGDL3MBTL1PDE7A
SCHEMBL3896301 0.79 L3MBTL1 (0.48) MEN1KMT2AHPGDL3MBTL1PDE7A
SCHEMBL766120 0.78 L3MBTL1 (0.38) HPGDL3MBTL1ALOX5PTGESPTGS2
SCHEMBL3901314 0.77 L3MBTL1 (0.46) MEN1KMT2AHPGDL3MBTL1PDE7A
SCHEMBL880710 0.75 NPSR1 (0.41) MEN1KMT2AHPGDL3MBTL1PDE7A
SCHEMBL880723 0.74 NPSR1 (0.42) MEN1KMT2AHPGDL3MBTL1PDE7A
SCHEMBL853448 0.70 ALDH1A1 (0.39) MEN1KMT2AHPGDPDE7ANR3C1
SCHEMBL853226 0.70 ALDH1A1 (0.39) MEN1KMT2AHPGDPDE7ANR3C1
SCHEMBL5349678 0.70 ALDH1A1 (0.41) HPGDPDE7AHTTKDM4EALDH1A1
SCHEMBL854856 0.69 ALDH1A1 (0.37) MEN1KMT2AHPGDL3MBTL1PDE7A

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MEN1 3519/4885KMT2A 3266/4885HPGD 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.