SCHEMBL8778880

SCHEMBL8778880

FC(F)(F)c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.47
IDH2 P48735 3/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
CYP1A2 P05177 3/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL8775329 0.80 USP1 (0.46) CYP1A2
SCHEMBL8775705 0.80 CYP1A2 (0.43) CYP1A2
SCHEMBL8775225 0.77 CTSS (0.49) CYP1A2
SCHEMBL3787346 0.76 CYP1A2 (0.45) IDH1IDH2CYP1A2
SCHEMBL3788203 0.76 CYP1A2 (0.45) GABRA1GABRG2GABRB3GABRA3CYP1A2
SCHEMBL3784385 0.76 RAB9A (0.55) CYP1A2
SCHEMBL8778674 0.76 CCR1 (0.50) CYP1A2
SCHEMBL8776105 0.75 CYP1A2 (0.42) CYP1A2
SCHEMBL8778735 0.75 CYP1A2 (0.42) CYP1A2
SCHEMBL8778810 0.75 CYP1A2 (0.41) IDH1CYP1A2

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 IDH1 613/4885IDH2 617/4885GABRA1 1505/4885

“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.