SCHEMBL8777300

SCHEMBL8777300

CC(=O)c1cccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
CSNK1G2 P78368 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
MAP4K5 Q9Y4K4 2/20 0.53
PDE10A Q9Y233 2/20 0.50
ATR Q13535 2/20 0.43
KDM1A O60341 1/20 0.42
FYN P06241 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDR P35968 2/20 0.40
MAPK8 P45983 2/20 0.40
CDK8 P49336 2/20 0.40
ACVR1 Q04771 2/20 0.40
MST1R Q04912 2/20 0.40
ROCK1 Q13464 2/20 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
SCHEMBL8777284 0.88 PDE10A (0.46) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL8776935 0.88 PDE10A (0.46) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL8777251 0.87 PDE10A (0.48) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL8776852 0.85 CYP1A2 (0.42) PDE10AATRMEN1KMT2ATP53
SCHEMBL8777303 0.84 PDE10A (0.46) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL8776966 0.84 PDE10A (0.46) PDE10AATRMEN1KMT2AMAPT
SCHEMBL8776938 0.83 PDE10A (0.51) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL8776955 0.82 CYP1A2 (0.42) MAP4K4CLK4PDE10ACYP1A2
SCHEMBL8777323 0.82 NPC1 (0.46) MAP4K4PDE10AMEN1KMT2ATP53
SCHEMBL8777123 0.82 PDE10A (0.44) PDE10ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 MAP4K4 1264/4885CLK4 2262/4885CSNK1G2 2494/4885

“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.