SCHEMBL15426262

SCHEMBL15426262

CCC[S+]([O-])c1ccccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
PDE10A Q9Y233 3/20 0.36
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
NLRP3 Q96P20 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 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
SCHEMBL15412909 0.91 BRD4 (0.38) BRD4AKT1AKT2PDE10ACYP1A2
SCHEMBL15412326 0.86 POLB (0.42) PDE10AKDM4E
SCHEMBL15426256 0.84 AKT1 (0.37) BRD4AKT1AKT2PDE10ACYP1A2
SCHEMBL15426274 0.83 PDE10A (0.35) BRD4AKT1AKT2PDE10ACYP1A2
SCHEMBL15426285 0.82 BRD4 (0.39) BRD4AKT1AKT2PDE10ACYP1A2
SCHEMBL15426270 0.81 AKT1 (0.35) BRD4AKT1AKT2PDE10ACYP1A2
SCHEMBL15426265 0.81 AKT1 (0.35) BRD4AKT1AKT2PDE10ACYP1A2
SCHEMBL15412793 0.80 AKT1 (0.38) AKT1AKT2KDM4EMAPTGAA
SCHEMBL15412895 0.80 KDM4E (0.30) KDM4EMAPTGAA
SCHEMBL15426278 0.79 AKT1 (0.38) BRD4AKT1AKT2PDE10ACYP1A2

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-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 BRD4 1677/4885AKT1 1919/4885AKT2 2509/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 BRD4 1616/4885AKT1 1808/4885AKT2 2400/4885

“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.