SCHEMBL2428009

SCHEMBL2428009

O=C(O)c1cc(Cl)cc2cn(C3CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.38
DHODH Q02127 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PARP1 P09874 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
TLR9 Q9NR96 2/20 0.35
CYP3A4 P08684 1/20 0.35
NOTUM Q6P988 1/20 0.35
TLR4 O00206 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL2428960 0.76 GRM2 (0.38) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL13961185 0.76 TLR8 (0.36) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL27758269 0.73 NOTUM (0.38) IRAK4NOTUM
SCHEMBL3928955 0.73 TLR8 (0.33) TLR8TLR7TLR9TLR4
SCHEMBL2426986 0.72 TLR8 (0.34) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL26110127 0.72 KDM4E (0.38) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL1407131 0.69 LRRK2 (0.38) IRAK4NOTUM
SCHEMBL1407132 0.69 LRRK2 (0.38) IRAK4NOTUM
SCHEMBL25341920 0.69 MAPT (0.39) IRAK4
SCHEMBL25113851 0.69 PDE4D (0.46) IRAK4PDE4D

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-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TLR8 1826/4885DHODH 2050/4885AKR1C4 694/4885

“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.