SCHEMBL8775191

SCHEMBL8775191

Cc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 3/20 0.46
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
PDE10A Q9Y233 1/20 0.44
NR1I3 Q14994 1/20 0.44
GRM5 P41594 1/20 0.43
KMO O15229 1/20 0.42
PTPN1 P18031 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL8775943 0.90 CYP1A2 (0.46) BCHEACHECYP1A2PDE10ANR1I3
SCHEMBL30483555 0.86 CYP1A2 (0.58) BCHEACHECYP1A2PDE10ANR1I3
SCHEMBL19981078 0.86 CYP1A2 (0.58) BCHEACHECYP1A2PDE10ANR1I3
SCHEMBL8775562 0.85 CYP1A2 (0.50) CYP1A2PDE10AMAPTMEN1KMT2A
SCHEMBL3784385 0.85 RAB9A (0.55) CYP1A2IDO1MAPTMEN1KMT2A
SCHEMBL8775555 0.84 NPC1 (0.55) CYP1A2PDE10AMAPTRAB9ASMN1; SMN2
SCHEMBL8776966 0.84 PDE10A (0.46) BCHEACHECYP1A2PDE10ANR1I3
SCHEMBL8775671 0.83 HSD17B1 (0.50) CYP1A2METAP2RAB9ASMN1; SMN2
SCHEMBL8775105 0.83 BCHE (0.48) BCHEACHECYP1A2IDO1GRM5
SCHEMBL8776094 0.82 CYP1A2 (0.47) CYP1A2MAPTMEN1KMT2ARAB9A

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 BCHE 1344/4885ACHE 2035/4885CYP1A2 18/4885

“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.