SCHEMBL4057266

SCHEMBL4057266

Fc1cccc(-c2nc3c([nH]2)C=NN(Cc2ccc(-c4ccc(OC(F)(F)F)cc4)cc2)C3)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.35
HCRTR2 O43614 10/20 0.35
HTR2C P28335 1/20 0.33
GRM2 Q14416 1/20 0.33
GRIN2B Q13224 1/20 0.33
PTGES O14684 1/20 0.32
CHRM5 P08912 2/20 0.32
WNT3A P56704 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4054807 0.91 CHRM5 (0.38) HCRTR1HCRTR2GRM2PTGESCHRM5
SCHEMBL3210128 0.90 BCHE (0.35) HCRTR1HCRTR2HTR2CALDH1A1TSHR
SCHEMBL4058255 0.89 CHRM5 (0.38) GRIN2BCHRM5WNT3ATNKS2
SCHEMBL4054871 0.88 RORC (0.36) HCRTR1HCRTR2GRIN2BCHRM5ALDH1A1
SCHEMBL4056617 0.88 CHRM5 (0.36) GRM2GRIN2BPTGESCHRM5WNT3A
SCHEMBL4058137 0.88 GRIN2B (0.36) GRIN2BALDH1A1
SCHEMBL3196451 0.87 NR3C1 (0.31) GRIN2B
SCHEMBL3214807 0.86 BACE1 (0.35) HCRTR1HCRTR2GRIN2BALDH1A1TSHR
SCHEMBL1220970 0.86 CYP3A4 (0.31) WNT3ATNKS2
SCHEMBL1221806 0.85 CA12 (0.33) WNT3ATNKS2

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-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO claimed
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 HCRTR1 4270/4885HCRTR2 4713/4885HTR2C 4292/4885

“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.