SCHEMBL8776630

SCHEMBL8776630

CCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
TP53 P04637 3/20 0.42
CYP1A2 P05177 1/20 0.39
FAAH O00519 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR8 Q9NR97 1/20 0.38
KCNH2 Q12809 1/20 0.37
THRB P10828 1/20 0.37
CREBBP Q92793 1/20 0.37
KMT2A Q03164 1/20 0.36
GRM2 Q14416 2/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35

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
SCHEMBL8776492 0.92 PDE10A (0.47) PDE10ATP53CYP1A2MAPTTLR8
SCHEMBL8777037 0.89 ADORA2A (0.43) CYP1A2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL8776620 0.88 CYP1A2 (0.39) PDE10ACYP1A2FAAHS1PR1MAPT
SCHEMBL8776564 0.87 CYP1A2 (0.46) PDE10ATP53CYP1A2MAPTRAB9A
SCHEMBL8776606 0.86 CYP1A2 (0.45) PDE10ATP53CYP1A2MAPTRAB9A
SCHEMBL8776012 0.85 PDE10A (0.44) PDE10ATP53CYP1A2FAAHS1PR1
SCHEMBL8776635 0.83 CYP1A2 (0.45) PDE10ATP53CYP1A2S1PR1MAPT
SCHEMBL8776995 0.83 CYP1A2 (0.42) PDE10ATP53CYP1A2MAPTRAB9A
SCHEMBL8777081 0.82 NPC1 (0.49) PDE10ATP53CYP1A2MAPTRAB9A
SCHEMBL8776408 0.82 PDE10A (0.43) PDE10ATP53CYP1A2S1PR1MAPT

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
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
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 PDE10A 1335/4885TP53 2126/4885CYP1A2 18/4885

“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.