SCHEMBL4053836

SCHEMBL4053836

Fc1cccc(-c2nc3c([nH]2)C=NN(Cc2ccc(C=Cc4ccccc4)cc2)C3)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.34
CXCR2 P25025 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
GRK6 P43250 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NFE2L2 Q16236 1/20 0.30
ACP1 P24666 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
SCHEMBL4058137 0.89 GRIN2B (0.36) GRIN2BCXCR2MEN1KMT2ASMN1; SMN2
SCHEMBL4048779 0.86 GRIN2B (0.36) GRIN2BGRK6ACP1
SCHEMBL4059307 0.84 GRIN2B (0.35) GRIN2BKMT2A
SCHEMBL4051060 0.84 S1PR5 (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4053750 0.83 GRIN2B (0.37) GRIN2B
SCHEMBL4051004 0.83 GRIN2B (0.34) GRIN2BKMT2AMAPTACP1
SCHEMBL4057704 0.82 GRIN2B (0.35) GRIN2BACP1
SCHEMBL4059972 0.82 ACHE (0.39) GRIN2BACP1
SCHEMBL4049590 0.82 GRIN2B (0.33) GRIN2BL3MBTL1NPC1SMN1; SMN2ACP1
SCHEMBL4051728 0.82 GRIN2B (0.39) GRIN2BMEN1KMT2AMAPTL3MBTL1

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 2807/4885CXCR2 1858/4885MEN1 3857/4885

“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.