SCHEMBL3203933

SCHEMBL3203933

COc1cccc(Cl)c1Cc1cc2ncccc2nc1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NQO2 P16083 1/20 0.39
TLR8 Q9NR97 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
DCPS Q96C86 3/20 0.37
DOT1L Q8TEK3 2/20 0.37
PGK1 P00558 1/20 0.37
G6PD P11413 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TP53 P04637 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL3206374 0.92 PDGFRB (0.43) AKT1PDGFRBPDGFRANQO2TLR8
SCHEMBL3215433 0.86 DHFR (0.40) AKT1PDGFRBPDGFRATLR8DCPS
SCHEMBL3217299 0.84 TLR8 (0.54) NQO2TLR8HSP90AA1HSP90AB1DCPS
SCHEMBL3217434 0.84 AKT1 (0.48) AKT1PDGFRBPDGFRANQO2TLR8
SCHEMBL3218819 0.81 NQO2 (0.42) NQO2TLR8HSP90AA1HSP90AB1DCPS
SCHEMBL3208073 0.81 PDE10A (0.39) NQO2TLR8HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3218775 0.80 MAPT (0.41) NQO2TLR8HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4718249 0.76 PDE10A (0.42) HSP90AA1HSP90AB1PGK1ALDH1A1MAPT
SCHEMBL3206611 0.75 TLR8 (0.60) NQO2TLR8DCPS
SCHEMBL3215519 0.75 ADCY10 (0.45) NQO2TLR8DCPS

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 1417/4885PDGFRB 881/4885PDGFRA 1026/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C AKT1 1417/4885PDGFRB 881/4885PDGFRA 1026/4885

“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.