SCHEMBL8776443

SCHEMBL8776443

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
PTGER4 P35408 3/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
ATR Q13535 1/20 0.40
CYP1A2 P05177 2/20 0.40
FYN P06241 3/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
MAP2K4 P45985 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL9607586 0.89 NOS3 (0.40) PDE10AATRCYP1A2
SCHEMBL8777349 0.87 CYP1A2 (0.45) PDE10APIK3CAPIK3CDPIK3CGCYP1A2
SCHEMBL8777057 0.86 CYP1A2 (0.38) PDE10APIK3CAPIK3CDMTORPIK3CG
SCHEMBL8776852 0.85 CYP1A2 (0.42) PDE10APIK3CAPIK3CDMTORPIK3CG
SCHEMBL8776966 0.84 PDE10A (0.46) PDE10AATRCYP1A2ABCG2
SCHEMBL8777303 0.84 PDE10A (0.46) PDE10ACYP1A2
SCHEMBL18707658 0.84 CYP1A2 (0.42) PDE10ACYP1A2
SCHEMBL8775836 0.83 FYN (0.43) PDE10APTGER4PIK3CAPIK3CDMTOR
SCHEMBL8776938 0.83 PDE10A (0.51) PDE10ACYP1A2
SCHEMBL8776955 0.82 CYP1A2 (0.42) PDE10ACYP1A2ABCG2

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
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
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 PDE10A 1335/4885PTGER4 4435/4885PIK3CA 1191/4885

“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.