SCHEMBL8779727

SCHEMBL8779727

Cc1nc(-c2cccc(C#CC3CC3)n2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NUDT1 P36639 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR3 P46089 1/20 0.38
TGFBR1 P36897 5/20 0.38
GRM5 P41594 1/20 0.38
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
IDH1 O75874 1/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 3/20 0.34
CYP3A4 P08684 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34

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
SCHEMBL8779483 0.87 CYP1A2 (0.45) CYP1A2ALDH1A1HPGDGRM5L3MBTL1
SCHEMBL8779683 0.84 GRM5 (0.53) PDE10ACYP1A2ALDH1A1HPGDNUDT1
SCHEMBL8816936 0.80 ADORA2A (0.51) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8778608 0.79 CYP1A2 (0.40) PDE10ACYP1A2GRM5IDH1
SCHEMBL8872433 0.77 PDE10A (0.49) PDE10ACYP1A2ALDH1A1HPGDNUDT1
SCHEMBL8884919 0.74 PDE10A (0.62) PDE10ACYP1A2ALDH1A1HPGDNUDT1
SCHEMBL14733012 0.70 PDE10A (0.47) PDE10ACYP1A2ALDH1A1HPGDNUDT1
SCHEMBL8779392 0.69 PDE10A (0.46) PDE10ACYP1A2ALDH1A1HPGDNUDT1
SCHEMBL8779494 0.68 GRM5 (0.53) CYP1A2ALDH1A1HPGDGRM5L3MBTL1
SCHEMBL8779765 0.67 KMT2A (0.46) PDE10ACYP1A2ALDH1A1HPGDNUDT1

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 1 patent. 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

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 1335/4885CYP1A2 18/4885ALDH1A1 1125/4885

“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.