SCHEMBL3222013

SCHEMBL3222013

COc1ccccc1Cc1cc2ccc(N(C)C)cc2nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
TERT O14746 1/20 0.43
APP P05067 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
MAPT P10636 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MAPK1 P28482 3/20 0.40

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
SCHEMBL3208174 0.85 ALDH1A1 (0.53) TLR8ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3220325 0.85 PLA2G2A (0.46) TLR8ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3218795 0.84 TLR8 (0.62) TLR8ADORA3ADORA2AADORA1ADCY10
SCHEMBL3197320 0.84 IDO1 (0.49) TLR8ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL3196286 0.83 TLR8 (0.49) TLR8ALDH1A1LMNAMAPTHSD17B10
SCHEMBL3220931 0.81 TLR8 (0.43) TLR8MAPTMAPK1ADORA3ADORA2A
SCHEMBL3222782 0.79 TLR8 (0.44) TLR8CYP1A2CYP3A4CYP2C19ADORA3
SCHEMBL3406203 0.78 GAA (0.50) TLR8MAPTMAPK1ADORA3ADORA2A
SCHEMBL4716005 0.78 TLR8 (0.54) TLR8ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3214978 0.77 TP53 (0.47) TLR8ALDH1A1LMNACYP1A2MAPT

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 3013/4885TERT 4174/4885APP 81/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885TERT 4174/4885APP 81/4885

“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.