SCHEMBL8776997

SCHEMBL8776997

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ACP1 P24666 1/20 0.41
SCN5A Q14524 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL8776948 0.86 NPC1 (0.51) CYP1A2PDE10AADORA3ADORA2A
SCHEMBL8777121 0.85 CYP1A2 (0.45) CYP1A2PDE10A
SCHEMBL8776961 0.85 CYP1A2 (0.45) CYP1A2TRPV1PDE10AADORA3
SCHEMBL8777081 0.84 NPC1 (0.49) CYP1A2PDE10AADORA3GBA1
SCHEMBL8776954 0.83 CYP1A2 (0.48) CYP1A2PDE10AADORA2A
SCHEMBL8776881 0.83 CYP1A2 (0.50) CYP1A2PDE10AADORA3ADORA2A
SCHEMBL8777140 0.83 CYP1A2 (0.50) CYP1A2PDE10A
SCHEMBL8776938 0.83 PDE10A (0.51) CYP1A2PDE10A
SCHEMBL8775681 0.82 ACP1 (0.44) CYP1A2PDE10AACP1SCN5AADORA2A
SCHEMBL28227448 0.81 CYP1A2 (0.54) CYP1A2PDE10AACP1SCN5AADORA2A

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 18/4885TRPV1 2424/4885PDE10A 1335/4885

“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.