SCHEMBL3219290

SCHEMBL3219290

COc1ccccc1Cc1cc2cc(F)ccc2nc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.48
TLR8 Q9NR97 3/20 0.46
DHFR P00374 1/20 0.43
CSNK1D P48730 1/20 0.42
PKM P14618 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADCY10 Q96PN6 1/20 0.41
LTA4H P09960 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
BACE1 P56817 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 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
SCHEMBL3220325 0.90 PLA2G2A (0.46) PLA2G2ATLR8DHFRCSNK1DPKM
SCHEMBL3220931 0.88 TLR8 (0.43) PLA2G2ATLR8DHFRADORA2AADORA1
SCHEMBL3406203 0.88 GAA (0.50) PLA2G2ATLR8DHFRADORA2AADORA1
SCHEMBL3214978 0.87 TP53 (0.47) TLR8DHFRCSNK1DMAPTTSHR
SCHEMBL3209853 0.87 TLR8 (0.42) PLA2G2ATLR8DHFRPKMBACE1
SCHEMBL3218795 0.86 TLR8 (0.62) TLR8ADORA2AADORA1ADORA3ADCY10
SCHEMBL4718157 0.86 IDO1 (0.49) PLA2G2ATLR8DHFRCSNK1DADORA2A
Hydrochloric Acid SCHEMBL3208543 0.86 TP53 (0.46) TLR8DHFRCSNK1DMAPTTSHR
SCHEMBL3196286 0.85 TLR8 (0.49) TLR8DHFRADORA2AADORA1ADORA3
SCHEMBL3197519 0.84 TLR8 (0.40) PLA2G2ATLR8DHFRBACE1MAPT

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 PLA2G2A 2888/4885TLR8 3013/4885DHFR 390/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C PLA2G2A 2888/4885TLR8 3013/4885DHFR 390/4885

“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.