SCHEMBL8776650

SCHEMBL8776650

CCc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
ATR Q13535 2/20 0.36
MBNL1 Q9NR56 1/20 0.35
DHFR P00374 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.32
PIK3CD O00329 1/20 0.32
HSF1 Q00613 1/20 0.32
ALOX5AP P20292 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
SCHEMBL8776479 0.89 CYP1A2 (0.40) CYP1A2ATRMBNL1MEN1KMT2A
SCHEMBL3789674 0.85 PDE10A (0.44) CYP1A2MBNL1MEN1NPC1MAPT
SCHEMBL8777210 0.83 CYP1A2 (0.36) CYP1A2MEN1NPC1MAPTKMT2A
SCHEMBL8776710 0.83 KDM4E (0.41) CYP1A2DHFRMEN1NPC1POLB
SCHEMBL8776404 0.82 CYP1A2 (0.46) CYP1A2MBNL1MEN1NPC1MAPT
SCHEMBL8776915 0.82 CYP1A2 (0.42) CYP1A2MBNL1MEN1NPC1POLB
SCHEMBL8776607 0.82 CYP1A2 (0.40) CYP1A2MBNL1MEN1NPC1MAPT
SCHEMBL8777068 0.82 CYP1A2 (0.40) CYP1A2ATRMBNL1MEN1NPC1
SCHEMBL8776992 0.82 MBNL1 (0.56) CYP1A2MBNL1NPC1MAPTRAB9A
SCHEMBL8776645 0.82 CYP1A2 (0.40) CYP1A2ATRMBNL1NPC1RAB9A

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 18/4885ATR 1639/4885MBNL1 4381/4885

“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.