SCHEMBL4053145

SCHEMBL4053145

Fc1cccc(-c2nc3c([nH]2)C=NN(Cc2ccc(Oc4ccc(OC(F)(F)F)cc4)nn2)C3)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL3196451 0.89 NR3C1 (0.31) GRIN2B
SCHEMBL4058255 0.85 CHRM5 (0.38) CHRM5GRIN2B
SCHEMBL4057266 0.83 HCRTR1 (0.35) CHRM5GRIN2B
SCHEMBL1220970 0.82 CYP3A4 (0.31)
SCHEMBL4054871 0.81 RORC (0.36) CHRM5GRIN2B
SCHEMBL4056436 0.80 WNT3A (0.32)
SCHEMBL3198402 0.80 GRIN2B (0.35) GRIN2B
SCHEMBL3209277 0.79 MCHR1 (0.34) GRIN2B
SCHEMBL4054807 0.78 CHRM5 (0.38) CHRM5
SCHEMBL3210128 0.78 BCHE (0.35)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US claimed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 CHRM5 4306/4885GRIN2B 2807/4885

“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.