SCHEMBL8776955

SCHEMBL8776955

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
PDE10A Q9Y233 2/20 0.40
ADORA2A P29274 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
DPP4 P27487 1/20 0.38
PIM1 P11309 1/20 0.38
HPGDS O60760 3/20 0.37
MAP4K4 O95819 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL3793053 0.90 CYP1A2 (0.44) CYP1A2PDE10AMAP4K4USP2ALDH1A1
SCHEMBL8777022 0.89 CYP1A2 (0.46) CYP1A2PDE10A
SCHEMBL8777303 0.88 PDE10A (0.46) CYP1A2PDE10AMAP4K4ALDH1A1CLK4
SCHEMBL8776966 0.88 PDE10A (0.46) CYP1A2PDE10ABCHEACHEABCG2
SCHEMBL8776954 0.86 CYP1A2 (0.48) CYP1A2PDE10AADORA2AABCG2
SCHEMBL8776938 0.86 PDE10A (0.51) CYP1A2PDE10AALDH1A1
SCHEMBL3789618 0.85 CYP1A2 (0.45) CYP1A2PDE10AUSP2ALDH1A1CYP3A4
SCHEMBL30129477 0.85 CYP1A2 (0.45) CYP1A2PDE10AUSP2ALDH1A1CYP3A4
SCHEMBL3785988 0.85 CYP1A2 (0.45) CYP1A2PDE10APIM1MAP4K4CLK4
SCHEMBL8776852 0.85 CYP1A2 (0.42) CYP1A2PDE10AABCG2ALDH1A1

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 18/4885PDE10A 1335/4885ADORA2A 3887/4885

“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.