SCHEMBL8776995

SCHEMBL8776995

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
TSPO P30536 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AXL P30530 4/20 0.37
S1PR3 Q99500 1/20 0.36
TGFBR1 P36897 2/20 0.36
PDE10A Q9Y233 2/20 0.35
NPC1 O15118 2/20 0.35
MBNL1 Q9NR56 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PIK3CA P42336 1/20 0.35
TGFBR2 P37173 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8776564 0.91 CYP1A2 (0.46) CYP1A2NPSR1PDE10ANPC1MEN1
SCHEMBL30129477 0.90 CYP1A2 (0.45) CYP1A2TGFBR1PDE10ANPC1MBNL1
SCHEMBL3785988 0.90 CYP1A2 (0.45) CYP1A2TGFBR1PDE10ANPC1MBNL1
SCHEMBL3789618 0.90 CYP1A2 (0.45) CYP1A2TGFBR1PDE10ANPC1MBNL1
SCHEMBL8776606 0.90 CYP1A2 (0.45) CYP1A2ADORA1HTTNPSR1RXFP1
SCHEMBL8777022 0.88 CYP1A2 (0.46) CYP1A2NPSR1PDE10ANPC1MBNL1
SCHEMBL8776635 0.87 CYP1A2 (0.45) CYP1A2NPSR1S1PR3PDE10ANPC1
SCHEMBL8776930 0.86 CYP1A2 (0.48) CYP1A2ADORA2AADORA1HTTNPSR1
SCHEMBL8777123 0.85 PDE10A (0.44) CYP1A2ABCG2TGFBR1PDE10ATGFBR2
SCHEMBL8776962 0.84 CYP1A2 (0.44) CYP1A2ADORA2AADORA1HTTPDE10A

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 CYP1A2 18/4885TSPO 1353/4885ADORA2A 3887/4885

“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.