SCHEMBL8778211

SCHEMBL8778211

Fc1ccc(Cc2cccc(-c3ncc4ccccc4n3)n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
ADORA2A P29274 2/20 0.35
NPC1 O15118 2/20 0.33
FYN P06241 1/20 0.33
S1PR3 Q99500 1/20 0.33
GRM5 P41594 1/20 0.32
MET P08581 1/20 0.32
FFAR1 O14842 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
JAK2 O60674 1/20 0.32
ZAP70 P43403 1/20 0.32
SYK P43405 1/20 0.32
RPS6KB1 P23443 1/20 0.31
USP1 O94782 2/20 0.31
WDR48 Q8TAF3 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31

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
SCHEMBL8778150 0.90 CYP1A2 (0.34) CYP1A2NPC1S1PR3PCSK9HTT
SCHEMBL8865272 0.88 USP1 (0.39) USP1WDR48
SCHEMBL8777762 0.86 USP1 (0.39) CYP1A2NPC1PCSK9USP1WDR48
SCHEMBL8777914 0.84 KDM4E (0.39) CYP1A2MAPT
SCHEMBL8778144 0.84 USP1 (0.39) CYP1A2NPC1S1PR3USP1WDR48
SCHEMBL3787262 0.83 CYP1A2 (0.40) CYP1A2NPC1PCSK9JAK2USP1
SCHEMBL29368748 0.83 CYP1A2 (0.40) CYP1A2NPC1PCSK9JAK2USP1
SCHEMBL8778217 0.83 USP1 (0.41) CYP1A2ADORA2ANPC1METUSP1
SCHEMBL8778292 0.82 CYP1A2 (0.34) CYP1A2ADORA2ANPC1PCSK9USP1
SCHEMBL8778027 0.82 CYP1A2 (0.38) CYP1A2NPC1S1PR3PCSK9HTT

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 18/4885ADORA2A 3887/4885NPC1 346/4885

“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.