SCHEMBL8776859

SCHEMBL8776859

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
PDE10A Q9Y233 3/20 0.38
MBNL1 Q9NR56 1/20 0.38
AR P10275 2/20 0.36
NPC1 O15118 4/20 0.35
TGFBR1 P36897 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CA P42336 1/20 0.33
PDE2A O00408 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL8777022 0.90 CYP1A2 (0.46) CYP1A2PDE10AMBNL1ARNPC1
SCHEMBL30129477 0.89 CYP1A2 (0.45) CYP1A2PDE10AMBNL1NPC1TGFBR1
SCHEMBL3789618 0.89 CYP1A2 (0.45) CYP1A2PDE10AMBNL1NPC1TGFBR1
SCHEMBL3793053 0.89 CYP1A2 (0.44) CYP1A2PDE10AMBNL1ARNPC1
SCHEMBL3785988 0.86 CYP1A2 (0.45) CYP1A2PDE10AMBNL1NPC1TGFBR1
SCHEMBL3788033 0.86 CYP1A2 (0.46) CYP1A2PDE10AARNPC1MAOA
SCHEMBL8776954 0.85 CYP1A2 (0.48) CYP1A2PDE10ANPC1SMN1; SMN2
SCHEMBL8776777 0.84 MBNL1 (0.41) CYP1A2MBNL1ARNPC1
SCHEMBL8776938 0.84 PDE10A (0.51) CYP1A2PDE10ANPC1PDGFRBKDR
SCHEMBL8776955 0.84 CYP1A2 (0.42) CYP1A2PDE10A

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 18/4885PDE10A 1335/4885MBNL1 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.