SCHEMBL8775705

SCHEMBL8775705

FC(F)(F)c1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
PARP1 P09874 1/20 0.43
TOP1 P11387 2/20 0.43
TRPV1 Q8NER1 1/20 0.40
KCNA5 P22460 1/20 0.39
ADORA2A P29274 1/20 0.39
TRPV3 Q8NET8 5/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KIF11 P52732 1/20 0.39
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 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
SCHEMBL8775225 0.86 CTSS (0.49) CYP1A2ADORA2AABCG2
SCHEMBL8775517 0.86 CYP1A2 (0.47) CYP1A2TRPV1ADORA2AABCG2
SCHEMBL27928282 0.85 CYP1A2 (0.58) CYP1A2PARP1TOP1ABCG2KIF11
SCHEMBL8775116 0.84 CYP1A2 (0.47) CYP1A2TOP1KCNA5
SCHEMBL31022343 0.84 CYP1A2 (0.56) CYP1A2PARP1TOP1ABCG2KIF11
SCHEMBL3784385 0.84 RAB9A (0.55) CYP1A2
SCHEMBL8775681 0.83 ACP1 (0.44) CYP1A2ADORA2A
SCHEMBL8775562 0.81 CYP1A2 (0.50) CYP1A2
SCHEMBL8775312 0.81 RAB9A (0.51) CYP1A2PARP1
SCHEMBL9607713 0.81 MEN1 (0.57) CYP1A2PARP1

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 18/4885PARP1 3966/4885TOP1 345/4885

“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.