SCHEMBL8776479

SCHEMBL8776479

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
ATR Q13535 2/20 0.40
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
MBNL1 Q9NR56 1/20 0.35
PIK3CD O00329 2/20 0.34
PDE10A Q9Y233 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 1/20 0.32
NTRK1 P04629 1/20 0.31
MEN1 O00255 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
SCHEMBL8776650 0.89 CYP1A2 (0.38) CYP1A2ATRUSP1WDR48MBNL1
SCHEMBL3789674 0.84 PDE10A (0.44) CYP1A2MBNL1PDE10ACYP2C19AR
SCHEMBL8776603 0.84 CYP1A2 (0.40) CYP1A2MBNL1PIK3CDPDE10AMEN1
SCHEMBL8776404 0.84 CYP1A2 (0.46) CYP1A2MBNL1PDE10ACYP2C19AR
SCHEMBL8776915 0.84 CYP1A2 (0.42) CYP1A2MBNL1PDE10AMEN1ALDH1A1
SCHEMBL18707658 0.82 CYP1A2 (0.42) CYP1A2PDE10AALDH1A1
SCHEMBL8777141 0.82 CYP1A2 (0.47) CYP1A2MBNL1PDE10ACYP2C19AR
SCHEMBL8776645 0.81 CYP1A2 (0.40) CYP1A2ATRMBNL1PDE10AAR
SCHEMBL8776992 0.81 MBNL1 (0.56) CYP1A2MBNL1PDE10AHIF1AAR
SCHEMBL8776607 0.81 CYP1A2 (0.40) CYP1A2MBNL1PIK3CDPDE10ACYP2C19

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 1639/4885USP1 2963/4885

“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.