SCHEMBL10249372

SCHEMBL10249372

CCS(=O)(=O)c1c[n+]([O-])ccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
PDE10A Q9Y233 3/20 0.32
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL356746 0.86 POLB (0.43) GAAMAPTRORC
SCHEMBL15412773 0.84 BRD4 (0.40) BRD4PDE10AAKT1AKT2KDM4E
SCHEMBL10249250 0.82 PDE10A (0.38) BRD4PDE10AAKT1AKT2NPC1
SCHEMBL10249125 0.81 AKT1 (0.32) BRD4PDE10AAKT1AKT2
SCHEMBL15868313 0.81 BRD4 (0.35) BRD4PDE10AAKT1AKT2NPC1
SCHEMBL15426390 0.81 TNKS (0.38) BRD4PDE10AKDM4E
SCHEMBL15426455 0.81 LMNA (0.34) BRD4PDE10AAKT1AKT2NPC1
SCHEMBL15426384 0.81 RORC (0.37) BRD4PDE10AAKT1AKT2RORC
SCHEMBL16803686 0.80 PDE10A (0.38) BRD4PDE10AAKT1AKT2NPC1
SCHEMBL16604841 0.79 BRD4 (0.34) BRD4PDE10AAKT1AKT2

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
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 BRD4 513/4885PDE10A 4112/4885AKT1 1153/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 BRD4 513/4885PDE10A 4112/4885AKT1 1153/4885

“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.