SCHEMBL8778679

SCHEMBL8778679

Cc1ccc(-c2ncc3ccccc3n2)nc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
PDE10A Q9Y233 9/20 0.38
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
SMO Q99835 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.33
LCK P06239 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 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
SCHEMBL8778780 0.93 TDP1 (0.43) CYP1A2PDE10ASMOTDP1L3MBTL1
SCHEMBL8871869 0.83 PDE10A (0.42) CYP1A2PDE10ASMOL3MBTL1NPC1
SCHEMBL8778671 0.79 CYP1A2 (0.46) CYP1A2PDE10AHTR3AHRH4TDP1
SCHEMBL8515341 0.77 TDP1 (0.49) CYP1A2PDE10AHTR3AHRH4TDP1
SCHEMBL8778766 0.77 CYP1A2 (0.42) CYP1A2PDE10AHTR3AHRH4
SCHEMBL3792267 0.76 CYP1A2 (0.36) CYP1A2PDE10AHTR3AHRH4
SCHEMBL8778865 0.75 CYP1A2 (0.39) CYP1A2SMONPC1
SCHEMBL8776938 0.74 PDE10A (0.51) CYP1A2PDE10ATDP1L3MBTL1NPC1
SCHEMBL8870416 0.74 CYP1A2 (0.42) CYP1A2PDE10AHTR3AHRH4TDP1
SCHEMBL28091206 0.73 CYP1A2 (0.50) CYP1A2TDP1ARNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1335/4885HTR3A 2680/4885

“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.