SCHEMBL3406203

SCHEMBL3406203

COc1ccccc1Cc1cc2cc(N)ccc2nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TLR8 Q9NR97 4/20 0.47
DHFR P00374 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ADCY10 Q96PN6 1/20 0.42
LTA4H P09960 1/20 0.41
PDE10A Q9Y233 1/20 0.41
IDO1 P14902 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AOC3 Q16853 1/20 0.39
PLA2G2A P14555 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
SCHEMBL3219290 0.88 PLA2G2A (0.48) GAAMAPTTSHRMAPK1HTT
SCHEMBL3214978 0.88 TP53 (0.47) MAPTTSHRMAPK1HTTTLR8
SCHEMBL3218795 0.87 TLR8 (0.62) TLR8ADORA3ADORA2AADORA1ADCY10
Hydrochloric Acid SCHEMBL3208543 0.87 TP53 (0.46) MAPTTSHRMAPK1HTTTLR8
SCHEMBL4718157 0.87 IDO1 (0.49) MAPTTLR8DHFRADORA3ADORA2A
SCHEMBL3196286 0.86 TLR8 (0.49) GAAMAPTTSHRMAPK1HTT
SCHEMBL3220931 0.84 TLR8 (0.43) GAAMAPTTSHRMAPK1HTT
SCHEMBL3217251 0.84 CSNK1D (0.46) GAAMAPTTSHRTLR8DHFR
SCHEMBL3205988 0.82 DHFR (0.41) TLR8DHFR
SCHEMBL3214919 0.82 TLR8 (0.44) GAATSHRTLR8DHFRADORA3

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-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 US 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 (1 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B GAA 1052/4885MAPT 903/4885TSHR 841/4885

“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.