SCHEMBL8776538

SCHEMBL8776538

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
PDE10A Q9Y233 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL8776961 0.89 CYP1A2 (0.45) CYP1A2PDE10AABCG2TRPV1AKT1
SCHEMBL8777140 0.87 CYP1A2 (0.50) CYP1A2SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8776881 0.87 CYP1A2 (0.50) CYP1A2TP53SMN1; SMN2KMT2AMEN1
SCHEMBL8776938 0.87 PDE10A (0.51) CYP1A2SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8777229 0.85 CYP1A2 (0.48) CYP1A2KMT2AMEN1RAB9APDE10A
SCHEMBL9607582 0.85 CYP1A2 (0.48) CYP1A2TP53SMN1; SMN2KMT2AMEN1
SCHEMBL8776954 0.85 CYP1A2 (0.48) CYP1A2SMN1; SMN2PDE10AABCG2NPC1
SCHEMBL8776930 0.85 CYP1A2 (0.48) CYP1A2SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8776481 0.83 NPC1 (0.50) CYP1A2SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8776659 0.82 CYP1A2 (0.46) CYP1A2TP53SMN1; SMN2KMT2AMEN1

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 CYP1A2 18/4885TP53 2126/4885SMN1; SMN2 3646/4885

“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.