SCHEMBL3217299

SCHEMBL3217299

COc1cccc(Cl)c1Cc1cc2ccccc2nc1N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.54
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE10A Q9Y233 1/20 0.44
NQO2 P16083 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 1/20 0.40
DCPS Q96C86 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
SCHEMBL3206611 0.91 TLR8 (0.60) TLR8MEN1KMT2APDE10ANQO2
SCHEMBL3218775 0.88 MAPT (0.41) TLR8MEN1KMT2ANQO2HSP90AA1
SCHEMBL3208073 0.86 PDE10A (0.39) TLR8PDE10ANQO2HSP90AA1HSP90AB1
SCHEMBL3197974 0.85 TLR8 (0.54) TLR8MEN1KMT2APDE10ADCPS
SCHEMBL3200765 0.85 TLR8 (0.54) TLR8MEN1KMT2APDE10A
SCHEMBL3203933 0.84 AKT1 (0.40) TLR8NQO2HSP90AA1HSP90AB1DCPS
SCHEMBL3218795 0.84 TLR8 (0.62) TLR8MEN1KMT2APDE10A
SCHEMBL3215075 0.84 TLR8 (0.59) TLR8MEN1KMT2APDE10A
SCHEMBL3218819 0.84 NQO2 (0.42) TLR8MEN1KMT2ANQO2HSP90AA1
SCHEMBL3205848 0.83 TLR8 (0.58) TLR8MEN1KMT2APDE10A

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 3013/4885MEN1 2777/4885KMT2A 3808/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885MEN1 2777/4885KMT2A 3808/4885

“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.