SCHEMBL8778057

SCHEMBL8778057

c1ccc(-c2ccccc2Cc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
CYP1A2 P05177 3/20 0.39
KCNA5 P22460 8/20 0.39
JAK2 O60674 2/20 0.39
CDK2 P24941 2/20 0.39
TYK2 P29597 2/20 0.39
GSK3B P49841 2/20 0.39
JAK3 P52333 2/20 0.39
BTK Q06187 2/20 0.39
AURKB Q96GD4 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
TXK P42681 1/20 0.39
NR2C2 P49116 1/20 0.39
IRAK1 P51617 1/20 0.39
BMX P51813 1/20 0.39
TEK Q02763 1/20 0.39
ITK Q08881 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL3787877 0.82 CYP1A2 (0.39) SCN9ACYP1A2NPC1LMNARAB9A
SCHEMBL3787471 0.82 CYP1A2 (0.37) CYP1A2NPC1LMNAMAPTRAB9A
SCHEMBL13063428 0.82 CYP1A2 (0.37) SCN9ACYP1A2KCNH2NPC1LMNA
SCHEMBL8777776 0.82 NPC1 (0.40) SCN9ACYP1A2NPC1RAB9A
SCHEMBL3787262 0.81 CYP1A2 (0.40) CYP1A2JAK2KCNH2NPC1RAB9A
SCHEMBL29368748 0.81 CYP1A2 (0.40) CYP1A2JAK2KCNH2NPC1RAB9A
SCHEMBL8775242 0.80 CYP1A2 (0.45) CYP1A2KCNA5JAK2CDK2TYK2
SCHEMBL8778109 0.79 PDE10A (0.42) SCN9ACYP1A2NPC1LMNAMAPT
SCHEMBL8777975 0.79 TLR8 (0.36) CYP1A2MAPTSMN1; SMN2
SCHEMBL8778000 0.79 USP1 (0.40) SCN9A

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 SCN9A 347/4885CYP1A2 18/4885KCNA5 1001/4885

“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.