SCHEMBL17433925

SCHEMBL17433925

COC1CN(Cc2cccc3nc(N)ccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.45
PDCD1LG2 Q9BQ51 1/20 0.45
PDE10A Q9Y233 1/20 0.43
NCF1 P14598 9/20 0.42
BACE1 P56817 1/20 0.41
CYBB P04839 3/20 0.41
NOX5 Q96PH1 1/20 0.41
PDCD1 Q15116 6/20 0.40
MCHR1 Q99705 2/20 0.38

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
SCHEMBL17434079 0.82 TSHR (0.46) CD274PDCD1LG2PDE10ANCF1BACE1
SCHEMBL17434040 0.75 TSHR (0.54) CD274PDCD1LG2PDE10ABACE1PDCD1
SCHEMBL17434039 0.75 TSHR (0.54) CD274PDCD1LG2PDE10ABACE1PDCD1
SCHEMBL17433846 0.73 PDE10A (0.47) PDE10ANCF1BACE1
SCHEMBL17433997 0.72 BACE1 (0.51) NCF1BACE1CYBBNOX5
SCHEMBL31361282 0.69 LTA4H (0.38) CD274PDCD1LG2PDCD1MCHR1
SCHEMBL610614 0.68 LTA4H (0.43) CD274PDCD1MCHR1
SCHEMBL20238359 0.68 SCN1A (0.46) CD274PDCD1LG2PDCD1
SCHEMBL29668762 0.68 SCN1A (0.46) CD274PDCD1LG2PDCD1
SCHEMBL17433987 0.67 NCF1 (0.51) NCF1BACE1CYBBNOX5

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 CD274 4685/4885PDCD1LG2 4520/4885PDE10A 1/4885

“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.