SCHEMBL8776962

SCHEMBL8776962

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
PDE10A Q9Y233 2/20 0.39
NPC1 O15118 2/20 0.36
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
NR1I3 Q14994 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.33
GRM5 P41594 1/20 0.33
IDO1 P14902 1/20 0.33
ADORA2B P29275 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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
SCHEMBL8777123 0.90 PDE10A (0.44) CYP1A2PDE10ANR1I3
SCHEMBL8776930 0.88 CYP1A2 (0.48) CYP1A2PDE10ANPC1ADORA1ADORA2A
SCHEMBL3788033 0.87 CYP1A2 (0.46) CYP1A2PDE10ANPC1ADORA1ADORA2A
SCHEMBL8776564 0.86 CYP1A2 (0.46) CYP1A2PDE10ANPC1MEN1KMT2A
SCHEMBL8776938 0.85 PDE10A (0.51) CYP1A2PDE10ANPC1MEN1ALDH1A1
SCHEMBL8776635 0.85 CYP1A2 (0.45) CYP1A2PDE10ANPC1MEN1ALDH1A1
SCHEMBL8776606 0.85 CYP1A2 (0.45) CYP1A2PDE10ANPC1ADORA1MEN1
SCHEMBL3793053 0.85 CYP1A2 (0.44) CYP1A2PDE10ANPC1MEN1ALDH1A1
SCHEMBL8776995 0.84 CYP1A2 (0.42) CYP1A2PDE10ANPC1ADORA1ADORA2A
SCHEMBL8776481 0.84 NPC1 (0.50) CYP1A2PDE10ANPC1MEN1ALDH1A1

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 1335/4885NPC1 346/4885

“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.