SCHEMBL8776961

SCHEMBL8776961

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TOP1 P11387 3/20 0.42
KDM1A O60341 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
PDE10A Q9Y233 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
DPP4 P27487 1/20 0.38
KCNA5 P22460 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
KCNH2 Q12809 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL8776538 0.89 CYP1A2 (0.46) CYP1A2TRPV1PDE10AABCG2AKT1
SCHEMBL8776643 0.87 KDM4E (0.42) CYP1A2KDM1APDE10AABCG2
SCHEMBL8776954 0.86 CYP1A2 (0.48) CYP1A2KDM1APDE10AABCG2
SCHEMBL8776881 0.86 CYP1A2 (0.50) CYP1A2PDE10AABCG2ADORA3
SCHEMBL8777140 0.86 CYP1A2 (0.50) CYP1A2PDE10A
SCHEMBL8776938 0.86 PDE10A (0.51) CYP1A2PDE10A
SCHEMBL8776997 0.85 CYP1A2 (0.42) CYP1A2TRPV1PDE10AADORA3
SCHEMBL9607582 0.84 CYP1A2 (0.48) CYP1A2KDM1APDE10A
SCHEMBL8776930 0.84 CYP1A2 (0.48) CYP1A2PDE10AADORA3
SCHEMBL8777229 0.84 CYP1A2 (0.48) CYP1A2KDM1APDE10A

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 18/4885TOP1 345/4885KDM1A 529/4885

“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.