SCHEMBL2657046

SCHEMBL2657046

O=C1Nc2c(F)cccc2C1=NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.43
POLB P06746 2/20 0.41
AGTR1 P30556 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CES1 P23141 2/20 0.37
LIG1 P18858 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PARP1 P09874 1/20 0.36
DAO P14920 2/20 0.36
NSD2 O96028 1/20 0.36
BCHE P06276 1/20 0.36
TGM2 P21980 1/20 0.36
CA12 O43570 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
SCHEMBL2657042 1.00 LRRK2 (0.43) LRRK2POLBAGTR1CA1CA2
SCHEMBL6315644 0.79 AGTR1 (0.33) LRRK2POLBAGTR1KMT2ADAO
SCHEMBL28783563 0.79 POLB (0.63) POLBAGTR1CA1CA2CA7
SCHEMBL21440314 0.77 LRRK2 (0.46) LRRK2POLBAGTR1MAPTKMT2A
SCHEMBL2661025 0.77 AGTR1 (0.32) LRRK2POLBAGTR1TGM2
SCHEMBL6316761 0.77 CES1 (0.39) LRRK2POLBAGTR1ALDH1A1GAA
SCHEMBL5804729 0.76 CA1 (0.39) LRRK2CA1CA2CA7CA9
SCHEMBL281604 0.76 CES1 (0.60) LRRK2CA1CA2CA7CA9
SCHEMBL29506270 0.76 CES1 (0.60) LRRK2CA1CA2CA7CA9
SCHEMBL6316768 0.73 ALDH1A1 (0.36) LRRK2POLBAGTR1ALDH1A1GAA

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
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 CN disclosed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 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 (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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF LRRK2 81/4885POLB 2852/4885AGTR1 865/4885

“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.