SCHEMBL8778876

SCHEMBL8778876

CCOc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
CYP1A2 P05177 3/20 0.42
TLR8 Q9NR97 1/20 0.40
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
MAPK8 P45983 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TGFBR1 P36897 1/20 0.38
GAA P10253 1/20 0.38
HTR7 P34969 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ADORA1 P30542 1/20 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
SCHEMBL8778873 0.85 CYP1A2 (0.44) BTKCYP1A2NPC1MAPTKDM4E
SCHEMBL8778911 0.83 PDE5A (0.43) CYP1A2TGFBR1L3MBTL1
SCHEMBL8778908 0.81 HTR7 (0.40) CYP1A2MAPTHTR7MEN1KMT2A
SCHEMBL8775908 0.81 HPGD (0.44) CYP1A2TLR8NPC1MAPTKDM4E
SCHEMBL3786821 0.79 HTT (0.47) CYP1A2NPC1MAPTKDM4EALDH1A1
SCHEMBL8778885 0.79 MAPT (0.40) MAPTKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL8777412 0.79 L3MBTL1 (0.46) CYP1A2NPC1MAPTALDH1A1HTR7
SCHEMBL8775301 0.79 TP53 (0.46) CYP1A2NPC1MAPTKDM4EALDH1A1
SCHEMBL8778894 0.79 HTT (0.47) CYP1A2NPC1MAPTALDH1A1MEN1
SCHEMBL8515946 0.78 KDM4E (0.43) CYP1A2MAPTKDM4EALDH1A1MEN1

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 BTK 394/4885CYP1A2 18/4885TLR8 1300/4885

“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.