SCHEMBL3206489

SCHEMBL3206489

COc1ccccc1Cc1cc2cccnc2nc1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
ADCY10 Q96PN6 1/20 0.41
LTA4H P09960 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
BCHE P06276 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
CNR2 P34972 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ROCK1 Q13464 1/20 0.39
AURKA O14965 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL3195819 0.87 PDGFRB (0.40) PDGFRBPDGFRA
SCHEMBL7019521 0.84 BCHE (0.39) AKT1ADCY10PDGFRBPDGFRABCHE
SCHEMBL3217434 0.82 AKT1 (0.48) AKT1ADCY10LTA4HPDGFRBPDGFRA
SCHEMBL3218795 0.81 TLR8 (0.62) ADCY10LTA4HTLR8ADORA3ADORA2A
SCHEMBL3221311 0.80 MCHR1 (0.49) ADCY10LTA4HCNR2TLR8ADORA3
SCHEMBL4717995 0.77 PDE10A (0.46) ADCY10LTA4HTLR8ADORA3ADORA2A
SCHEMBL10692074 0.77 PDE5A (0.50) PDGFRBPDGFRATLR8AURKA
SCHEMBL3196286 0.77 TLR8 (0.49) ADCY10LTA4HPDGFRBPDGFRATLR8
SCHEMBL4716362 0.76 ADORA2A (0.41) ADCY10LTA4HCNR2ADORA3ADORA2A
SCHEMBL4718160 0.75 ADCY10 (0.46) ADCY10LTA4HCNR2ADORA3ADORA2A

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 1417/4885ADCY10 1281/4885LTA4H 808/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C AKT1 1417/4885ADCY10 1281/4885LTA4H 808/4885

“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.