SCHEMBL8776096

SCHEMBL8776096

CC(=O)c1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
CYP1A2 P05177 3/20 0.40
MAP4K4 O95819 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CSNK1G2 P78368 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
MAP3K5 Q99683 1/20 0.38
GRM5 P41594 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 3/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 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
SCHEMBL8776349 0.86 SLC6A3 (0.47) GRM5MEN1KMT2AKDM4EALDH1A1
SCHEMBL8777083 0.83 KDM4C (0.39) KDM4CCYP1A2MAP4K4CLK4CSNK1G2
SCHEMBL8775741 0.79 CYP1A2 (0.44) CYP1A2MEN1KMT2APDE10AALDH1A1
SCHEMBL8775528 0.79 CYP1A2 (0.44) CYP1A2CLK4MEN1KMT2AKDR
SCHEMBL8775712 0.78 CYP1A2 (0.41) CYP1A2GRM5ALOX5APFEN1MEN1
SCHEMBL8775074 0.77 CYP1A2 (0.53) CYP1A2MEN1KMT2AGSK3BCDK5
SCHEMBL8775218 0.77 CYP1A2 (0.42) CYP1A2CLK4MEN1KMT2AKDR
SCHEMBL8776344 0.76 CYP1A2 (0.44) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8775659 0.76 NPC1 (0.52) CYP1A2PDE10AALDH1A1
SCHEMBL8775144 0.76 CYP1A2 (0.44) CYP1A2CLK4GRM5MEN1KMT2A

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 KDM4C 1005/4885CYP1A2 18/4885MAP4K4 1264/4885

“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.