SCHEMBL3209362

SCHEMBL3209362

COc1cccc(F)c1Cc1cc2cnccc2nc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
TLR8 Q9NR97 1/20 0.37
MAPK1 P28482 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
DHFR P00374 2/20 0.34
RPS6KA2 Q15349 1/20 0.34
EGFR P00533 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE5A O76074 1/20 0.34
BUB1 O43683 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL3215144 0.92 PDE10A (0.42) PDE10ATLR8DHFREGFRHTT
SCHEMBL3208073 0.86 PDE10A (0.39) PDE10ATLR8MAPTDHFREGFR
SCHEMBL3197974 0.86 TLR8 (0.54) PDE10ATLR8DHFRRPS6KA2
SCHEMBL3197519 0.85 TLR8 (0.40) TLR8MAPK1TP53MAPTDHFR
SCHEMBL3215454 0.82 TLR8 (0.40) TLR8MAPK1TP53MAPTDHFR
SCHEMBL3214919 0.82 TLR8 (0.44) PDE10ATLR8DHFRPDE5A
SCHEMBL3219243 0.82 TLR8 (0.41) PDE10ATLR8MAPTDHFRHTT
SCHEMBL3210319 0.82 DPP4 (0.39) TLR8MAPK1MAPTRPS6KA2HTT
SCHEMBL3215433 0.81 DHFR (0.40) TLR8MAPK1DHFRRPS6KA2HTT
SCHEMBL3210986 0.80 PDE10A (0.42) PDE10AMAPK1MAPTRPS6KA2HTT

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 PDE10A 1050/4885TLR8 3013/4885MAPK1 2132/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C PDE10A 1050/4885TLR8 3013/4885MAPK1 2132/4885

“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.