SCHEMBL3217434

SCHEMBL3217434

COc1ccccc1Cc1cc2ncccc2nc1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.48
TLR8 Q9NR97 2/20 0.46
SGMS2 Q8NHU3 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADCY10 Q96PN6 1/20 0.41
AURKA O14965 1/20 0.41
LTA4H P09960 1/20 0.41
NQO2 P16083 1/20 0.41
DHFR P00374 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL3206374 0.87 PDGFRB (0.43) AKT1TLR8PDGFRBPDGFRANQO2
SCHEMBL3203933 0.84 AKT1 (0.40) AKT1TLR8PDGFRBPDGFRANQO2
SCHEMBL3218795 0.83 TLR8 (0.62) TLR8ADORA2AADORA1ADORA3ADCY10
SCHEMBL3215433 0.82 DHFR (0.40) AKT1TLR8PDGFRBPDGFRAADORA2A
SCHEMBL3206489 0.82 AKT1 (0.43) AKT1TLR8PDGFRBPDGFRAADORA2A
SCHEMBL3196286 0.80 TLR8 (0.49) TLR8PDGFRBPDGFRAADORA2AADORA1
SCHEMBL2247864 0.79 TLR8 (0.46) TLR8ADORA2AADORA1ADORA3ADCY10
SCHEMBL3214919 0.78 TLR8 (0.44) TLR8ADORA2AADORA1ADORA3ADCY10
SCHEMBL3222782 0.78 TLR8 (0.44) TLR8ADORA2AADORA1ADORA3ADCY10
SCHEMBL3220931 0.77 TLR8 (0.43) TLR8ADORA2AADORA1ADORA3ADCY10

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 AKT1 1417/4885TLR8 3013/4885SGMS2 4734/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C AKT1 1417/4885TLR8 3013/4885SGMS2 4734/4885

“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.