SCHEMBL17434136

SCHEMBL17434136

COC1CN(C(=O)c2cccc3nc(NN)ccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.53
RIPK1 Q13546 1/20 0.39
ATR Q13535 2/20 0.39
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTK P33981 1/20 0.36

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
SCHEMBL17433846 0.85 PDE10A (0.47) PDE10ARIPK1ATRHCRTR1HCRTR2
SCHEMBL17434024 0.82 PDE10A (0.47) PDE10ARIPK1HCRTR1HCRTR2PDE4A
SCHEMBL17471672 0.77 PDE10A (0.44) PDE10ARIPK1ATRHCRTR1HCRTR2
SCHEMBL17471670 0.75 PDE10A (0.44) PDE10ARIPK1HCRTR1HCRTR2PDE4A
SCHEMBL17471648 0.72 PDE10A (0.90) PDE10A
SCHEMBL17433998 0.71 PDE10A (1.00) PDE10A
SCHEMBL17433958 0.71 PDE10A (1.00) PDE10A
SCHEMBL17434154 0.69 BACE1 (0.44) PDE10ARIPK1HCRTR1HCRTR2PDE4B
SCHEMBL12701307 0.66 KDM4E (0.46) PDE10ARIPK1PDE4BMAPTKDM4E
SCHEMBL17433834 0.66 SMN1; SMN2 (0.44) PDE10ARIPK1PDE4APDE4BPDE4C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
EP-2975037-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 EP disclosed
EP-2975037-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 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 (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-20160024060-A1 BENZOTHIOPHENE DERIVATIVE PDE10A, PDE5A, PDE3B PDE10A 1/4885RIPK1 4567/4885ATR 3893/4885

“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.