SCHEMBL3215519

SCHEMBL3215519

COc1ccccc1Cc1cc2c(Cl)cccc2nc1N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 1/20 0.45
TLR8 Q9NR97 5/20 0.45
CNR2 P34972 2/20 0.43
IDO1 P14902 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
DCPS Q96C86 1/20 0.42
PLA2G2A P14555 1/20 0.42
DHPS P49366 1/20 0.41
NQO2 P16083 1/20 0.41
DHFR P00374 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
SCHEMBL3218819 0.89 NQO2 (0.42) TLR8DCPSDHPSNQO2
SCHEMBL2247864 0.87 TLR8 (0.46) ADCY10TLR8CNR2ADORA3ADORA2A
SCHEMBL3218795 0.81 TLR8 (0.62) ADCY10TLR8ADORA3ADORA2AADORA1
SCHEMBL4718160 0.81 ADCY10 (0.46) ADCY10CNR2IDO1ADORA3ADORA2A
SCHEMBL3217299 0.80 TLR8 (0.54) TLR8DCPSNQO2
SCHEMBL4718157 0.79 IDO1 (0.49) ADCY10TLR8IDO1ADORA3ADORA2A
SCHEMBL3197320 0.79 IDO1 (0.49) ADCY10TLR8IDO1ADORA3ADORA2A
SCHEMBL3196286 0.78 TLR8 (0.49) ADCY10TLR8IDO1ADORA3ADORA2A
SCHEMBL3217434 0.77 AKT1 (0.48) ADCY10TLR8CNR2ADORA3ADORA2A
SCHEMBL3220931 0.75 TLR8 (0.43) ADCY10TLR8IDO1ADORA3ADORA2A

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 ADCY10 1281/4885TLR8 3013/4885CNR2 106/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ADCY10 1281/4885TLR8 3013/4885CNR2 106/4885

“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.