SCHEMBL3219243

SCHEMBL3219243

COc1cccc(OC)c1Cc1cc2ccncc2nc1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
PDE10A Q9Y233 2/20 0.39
DHFR P00374 2/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 2/20 0.37
DCPS Q96C86 1/20 0.37
ADORA2A P29274 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3215144 0.90 PDE10A (0.42) TLR8PDE10ADHFRHTTDCPS
SCHEMBL3222782 0.87 TLR8 (0.44) TLR8PDE10ADHFRADORA2AMEN1
SCHEMBL3206611 0.84 TLR8 (0.60) TLR8PDE10ADCPSMEN1KMT2A
SCHEMBL3209362 0.82 PDE10A (0.39) TLR8PDE10ADHFRHTTMAPT
SCHEMBL3208073 0.82 PDE10A (0.39) TLR8PDE10ADHFRHTTMAPT
SCHEMBL3219124 0.81 KDM4E (0.47) TLR8DHFRHTTDCPSMAPT
SCHEMBL3206374 0.78 PDGFRB (0.43) TLR8PDE10ADHFRHTTDCPS
SCHEMBL3209853 0.78 TLR8 (0.42) TLR8DHFRDCPSMAPTMEN1
SCHEMBL4718225 0.78 PDE10A (0.45) TLR8PDE10AHTTMAPTMEN1
SCHEMBL3215075 0.78 TLR8 (0.59) TLR8PDE10ADHFRMAPTMEN1

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885PDE10A 1050/4885DHFR 390/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885PDE10A 1050/4885DHFR 390/4885

“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.