SCHEMBL17433846

SCHEMBL17433846

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.47
RIPK1 Q13546 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 2/20 0.41
NCF1 P14598 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
CDK19 Q9BWU1 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.38
PARP1 P09874 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL17471672 0.92 PDE10A (0.44) PDE10ARIPK1KMT2AATMATR
SCHEMBL17434024 0.88 PDE10A (0.47) PDE10ARIPK1KMT2AATMHCRTR1
SCHEMBL17434136 0.85 PDE10A (0.53) PDE10ARIPK1ATRHCRTR1HCRTR2
SCHEMBL17434154 0.84 BACE1 (0.44) PDE10ARIPK1KMT2AATMNCF1
SCHEMBL17471670 0.80 PDE10A (0.44) PDE10ARIPK1KMT2AATMHCRTR1
SCHEMBL17433794 0.79 KMT2A (0.54) KMT2AATMMAPTBACE1POLB
SCHEMBL17434069 0.76 PDE10A (0.43) PDE10ARIPK1KMT2AATMNCF1
SCHEMBL17433795 0.74 KDM4E (0.52) KMT2AATMNCF1PDE4BMAPT
SCHEMBL17433925 0.73 CD274 (0.45) PDE10ANCF1BACE1
SCHEMBL17433767 0.72 BACE1 (0.51) KMT2ANCF1PDE4BMAPTBACE1

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 4567/4885KMT2A 2674/4885

“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.