SCHEMBL8777792

SCHEMBL8777792

FC(F)(F)c1cccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
LTA4H P09960 1/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
CNR2 P34972 1/20 0.39
GPR52 Q9Y2T5 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HTR2A P28223 1/20 0.37
PPP1CA P62136 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP1 O94782 2/20 0.36
WDR48 Q8TAF3 2/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL8777811 0.88 USP1 (0.44) APPLTA4HCYP1A2USP1WDR48
SCHEMBL29368748 0.84 CYP1A2 (0.40) PPP1CAKMT2ACYP1A2USP1WDR48
SCHEMBL3787262 0.84 CYP1A2 (0.40) PPP1CAKMT2ACYP1A2USP1WDR48
SCHEMBL8865272 0.83 USP1 (0.39) USP1WDR48
SCHEMBL8871754 0.82 GPR52 (0.42) APPLTA4HHTR2CHTR2BCNR2
SCHEMBL8777914 0.82 KDM4E (0.39) APPHTR2CHTR2BKMT2ACYP1A2
SCHEMBL8778044 0.82 CYP2C19 (0.38) LTA4HHTR2CHTR2BTLR8TLR7
SCHEMBL8778211 0.81 CYP1A2 (0.38) CYP1A2USP1WDR48GRM5
SCHEMBL8777762 0.79 USP1 (0.39) CNR2KMT2ACYP1A2USP1WDR48
SCHEMBL8775225 0.79 CTSS (0.49) CNR2CYP1A2

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 APP 4734/4885LTA4H 2792/4885HTR2C 2377/4885

“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.