SCHEMBL8776659

SCHEMBL8776659

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
MAPT P10636 4/20 0.40
PDE10A Q9Y233 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
DHODH Q02127 2/20 0.40
RAB9A P51151 2/20 0.40
PAX8 Q06710 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CASR P41180 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
HTT P42858 1/20 0.34
NPY2R P49146 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL8776930 0.87 CYP1A2 (0.48) CYP1A2MAPTPDE10AL3MBTL1RAB9A
SCHEMBL9607582 0.87 CYP1A2 (0.48) CYP1A2MAPTPDE10ARAB9ANPC1
SCHEMBL8777140 0.87 CYP1A2 (0.50) CYP1A2MAPTPDE10ADHODHRAB9A
SCHEMBL8776881 0.87 CYP1A2 (0.50) CYP1A2MAPTPDE10AL3MBTL1RAB9A
SCHEMBL8776548 0.87 CYP1A2 (0.40) CYP1A2MAPTPDE10ANPC1SMN1; SMN2
SCHEMBL8776938 0.87 PDE10A (0.51) CYP1A2MAPTPDE10AL3MBTL1RAB9A
SCHEMBL8776564 0.85 CYP1A2 (0.46) CYP1A2MAPTPDE10ARAB9ANPC1
SCHEMBL8777080 0.85 CYP1A2 (0.48) CYP1A2PDE10ARAB9ANPC1SMN1; SMN2
SCHEMBL8776954 0.85 CYP1A2 (0.48) CYP1A2MAPTPDE10ANPC1SMN1; SMN2
SCHEMBL8777229 0.85 CYP1A2 (0.48) CYP1A2MAPTPDE10ARAB9ANPC1

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 18/4885MAPT 3067/4885PDE10A 1335/4885

“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.