SCHEMBL3209046

SCHEMBL3209046

Nc1nc2ccccc2cc1Cc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.53
HSPA5 P11021 1/20 0.52
IKBKB O14920 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
STAT3 P40763 1/20 0.42
BACE1 P56817 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL4716005 0.88 TLR8 (0.54) TLR8HSPA5KDM4EALDH1A1HPGD
SCHEMBL3209797 0.80 TLR8 (0.46) TLR8IKBKBKDM4EALDH1A1HPGD
SCHEMBL3207917 0.78 TLR8 (0.57) TLR8IKBKBKDM4EALDH1A1HPGD
SCHEMBL3218795 0.77 TLR8 (0.62) TLR8ADORA3ADORA2AADORA1KMT2A
SCHEMBL3200765 0.77 TLR8 (0.54) TLR8KDM4EALDH1A1HPGDNPC1
SCHEMBL317874 0.75 TLR8 (0.62) TLR8IKBKBKDM4EALDH1A1HPGD
SCHEMBL1133367 0.75 ALDH1A1 (0.59) TLR8IKBKBKDM4EALDH1A1HPGD
SCHEMBL6664826 0.75 TLR8 (0.66) TLR8IKBKBKDM4EALDH1A1HPGD
SCHEMBL1019128 0.74 TLR8 (0.70) TLR8IKBKBKDM4EALDH1A1NPC1
SCHEMBL317873 0.74 TLR8 (0.60) TLR8IKBKBKDM4EALDH1A1HPGD

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 3013/4885HSPA5 1843/4885IKBKB 3178/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885HSPA5 1843/4885IKBKB 3178/4885

“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.