SCHEMBL8775836

SCHEMBL8775836

OCc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.43
CYP1A2 P05177 2/20 0.43
CDK8 P49336 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
ATR Q13535 1/20 0.41
PDE10A Q9Y233 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PRKCI P41743 1/20 0.40
PTGER4 P35408 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
SCHEMBL8776113 0.84 MMP3 (0.41) CYP1A2
SCHEMBL9607710 0.84 CYP1A2 (0.41) CYP1A2CDK8
SCHEMBL8776443 0.83 PDE10A (0.41) FYNCYP1A2GPBAR1CYSLTR1PIK3CA
SCHEMBL8775671 0.82 HSD17B1 (0.50) CYP1A2PIK3CAPIK3CGATR
SCHEMBL3784385 0.81 RAB9A (0.55) CYP1A2
SCHEMBL8775105 0.80 BCHE (0.48) CYP1A2ABCG2
SCHEMBL8775191 0.80 BCHE (0.48) CYP1A2PDE10AABCG2
SCHEMBL8776094 0.79 CYP1A2 (0.47) CYP1A2
SCHEMBL19051436 0.79 GPBAR1 (0.52) FYNCYP1A2CDK8GPBAR1CYSLTR1
SCHEMBL29746237 0.79 GPBAR1 (0.52) FYNCYP1A2CDK8GPBAR1CYSLTR1

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 FYN 964/4885CYP1A2 18/4885CDK8 3066/4885

“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.