SCHEMBL3654538

SCHEMBL3654538

COc1ccc2nc(NS(C)(=O)=O)c3c(C)nc(-c4ccccc4)n3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
PDE10A Q9Y233 3/20 0.47
PDE2A O00408 3/20 0.47
PDE5A O76074 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE11A Q9HCR9 1/20 0.46
PIK3CG P48736 6/20 0.43
BRD4 O60885 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL968812 0.85 PDE10A (0.61) PDE10APDE2APDE5APDE11AMAPT
SCHEMBL3658809 0.85 PDE10A (0.54) ADORA3PDE10APDE2APDE5APDE3A
SCHEMBL3661860 0.85 PDE2A (0.43) ADORA3PDE10APDE2APDE5APDE3A
SCHEMBL3657348 0.83 PDE10A (0.52) PDE10APDE2ACYP1A2
SCHEMBL3653120 0.80 PDE10A (0.67) PDE10APDE2APDE5APDE3APDE11A
SCHEMBL970075 0.79 PDE2A (0.51) ADORA3PDE10APDE2APDE5APDE11A
SCHEMBL3654534 0.78 PDE10A (0.48) ADORA3PDE10APDE2APDE5APDE3A
SCHEMBL3660059 0.78 PDE10A (0.58) ADORA3PDE10APDE2APDE5APDE3A
SCHEMBL3659604 0.76 PDE10A (0.48) PDE10APDE2APDE5APDE11AMAPT
SCHEMBL3660549 0.72 PDE10A (0.64) ADORA3PDE10APDE2APDE5APDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227472-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Elbion Gmbh (DE) 2010-09-15 EP claimed
WO-2009068320-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 WO claimed
US-20090143391-A1 Aryl and heteroaryl fused imidazo [1,5-a] pyrazines as inhibitors of phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US claimed
EP-2227472-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Elbion Gmbh (DE) 2010-09-15 EP disclosed
WO-2009068320-A1 ARYL AND HETEROARYL FUSED IMIDAZO (1,5-A) PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 WO disclosed
US-20090143391-A1 Aryl and heteroaryl fused imidazo [1,5-a] pyrazines as inhibitors of phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 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-20090143391-A1 Aryl and heteroaryl fused imidazo [1,5-a] pyrazines as inhibitors of phosphodiesterase 10 PDE12, PDE5A, PDE10A ADORA3 960/4885PDE10A 3/4885PDE2A 6/4885

“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.