SCHEMBL8775946

SCHEMBL8775946

Cc1cccc(C)c1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.44
HTR7 P34969 2/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
AR P10275 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CD O00329 1/20 0.34
FGFR1 P11362 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8775777 0.90 CYP1A2 (0.41) CYP1A2HTR7L3MBTL1LCKKDR
SCHEMBL8776130 0.87 CYP1A2 (0.41) CYP1A2HTR3AHRH4ARTDP1
SCHEMBL8775528 0.86 CYP1A2 (0.44) CYP1A2MEN1KMT2AL3MBTL1LCK
SCHEMBL8776452 0.84 CYP1A2 (0.41) CYP1A2MEN1KMT2AL3MBTL1LCK
SCHEMBL8775218 0.84 CYP1A2 (0.42) CYP1A2MEN1KMT2AL3MBTL1LCK
SCHEMBL8778674 0.82 CCR1 (0.50) CYP1A2MAPK14
SCHEMBL8776105 0.81 CYP1A2 (0.42) CYP1A2L3MBTL1HTR3AHRH4TDP1
SCHEMBL8776232 0.81 HTR7 (0.45) CYP1A2HTR7MEN1KMT2AL3MBTL1
SCHEMBL8775562 0.80 CYP1A2 (0.50) CYP1A2MEN1KMT2AL3MBTL1AR
SCHEMBL8778658 0.80 CYP1A2 (0.40) CYP1A2HTR7MEN1KMT2AL3MBTL1

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 18/4885HTR7 3853/4885MEN1 571/4885

“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.