SCHEMBL8775541

SCHEMBL8775541

Fc1cc(F)cc(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
GRM5 P41594 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MET P08581 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL8775105 0.90 BCHE (0.48) CYP1A2GRM5BCHEACHEMEN1
SCHEMBL8775852 0.87 CYP1A2 (0.43) CYP1A2NPC1MEN1RAB9AKMT2A
SCHEMBL8775116 0.87 CYP1A2 (0.47) CYP1A2NPC1MEN1RAB9AKMT2A
SCHEMBL28582843 0.84 CYP1A2 (0.53) CYP1A2GRM5CTDSP1TDP1ACHE
SCHEMBL8776386 0.84 CYP1A2 (0.40) CYP1A2ACHENPC1RAB9A
SCHEMBL8775529 0.83 CYP1A2 (0.45) CYP1A2GRM5NPC1RAB9A
SCHEMBL3784385 0.83 RAB9A (0.55) CYP1A2NPC1MEN1RAB9AKMT2A
SCHEMBL3793053 0.82 CYP1A2 (0.44) CYP1A2CTDSP1TDP1METNPC1
SCHEMBL8776069 0.82 CYP1A2 (0.44) CYP1A2NPC1RAB9A
SCHEMBL8775943 0.82 CYP1A2 (0.46) CYP1A2TDP1BCHEACHENPC1

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 18/4885GRM5 2204/4885CTDSP1 3504/4885

“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.