SCHEMBL4058501

SCHEMBL4058501

CCc1ccc(-c2ccc(CN3Cc4nc(-c5cccc(F)c5F)[nH]c4C=N3)nn2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.31

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
SCHEMBL4052806 0.93 GRIN2B (0.30) GRIN2B
SCHEMBL3208586 0.92
SCHEMBL4055599 0.91 GRIN2B (0.32) GRIN2B
SCHEMBL4051145 0.91 DYRK1A (0.33) GRIN2B
SCHEMBL4053740 0.91 GRIN2B (0.30) GRIN2B
SCHEMBL4052653 0.91 GRIN2B (0.30) GRIN2B
SCHEMBL3200294 0.90 NPC1 (0.35) GRIN2B
SCHEMBL3210266 0.90 GRIN2B (0.32) GRIN2B
SCHEMBL3200923 0.90 GRIN2B (0.32) GRIN2B
SCHEMBL4058681 0.89 GNRHR (0.32) GRIN2B

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 GRIN2B 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.