SCHEMBL3222782

SCHEMBL3222782

COc1ccccc1Cc1cc2ccncc2nc1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
PDE10A Q9Y233 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ADCY10 Q96PN6 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
LTA4H P09960 1/20 0.40
DHFR P00374 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL3214919 0.90 TLR8 (0.44) TLR8PDE10AADORA3ADORA2AADORA1
SCHEMBL3219243 0.87 TLR8 (0.41) TLR8PDE10AADORA2AMEN1KMT2A
SCHEMBL3218795 0.85 TLR8 (0.62) TLR8PDE10AADORA3ADORA2AADORA1
SCHEMBL3196286 0.81 TLR8 (0.49) TLR8ADORA3ADORA2AADORA1GAA
SCHEMBL3208174 0.81 ALDH1A1 (0.53) TLR8ADORA3ADORA2AADORA1MEN1
SCHEMBL3220325 0.81 PLA2G2A (0.46) TLR8ADORA3ADORA2AADORA1MEN1
SCHEMBL3197320 0.80 IDO1 (0.49) TLR8PDE10AADORA3ADORA2AADORA1
SCHEMBL3220931 0.79 TLR8 (0.43) TLR8ADORA3ADORA2AADORA1GAA
SCHEMBL3406203 0.79 GAA (0.50) TLR8PDE10AADORA3ADORA2AADORA1
SCHEMBL4716005 0.79 TLR8 (0.54) TLR8PDE10AADORA3ADORA2AADORA1

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 1050/4885ADORA3 117/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885PDE10A 1050/4885ADORA3 117/4885

“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.