SCHEMBL4054989

SCHEMBL4054989

CCCOc1ccc(-c2ccc(CN3Cc4nc(-c5cccc(F)c5F)[nH]c4C=N3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
IDO1 P14902 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PDK2 Q15119 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
SCHEMBL4051020 0.92 AVPR2 (0.34) GRM5IDO1PDE3BPDE3AMAPT
SCHEMBL4060759 0.91 GRM5 (0.33) GRM5IDO1PDE3BPDE3A
SCHEMBL4053593 0.90 KCNH2 (0.34)
SCHEMBL4057339 0.89 GRM5 (0.33) GRM5ALDH1A1
SCHEMBL4050904 0.89 KCNH2 (0.36)
SCHEMBL4053373 0.88 IDO1 (0.34) GRM5IDO1PDE3BPDE3A
SCHEMBL3724444 0.88 ADORA3 (0.34) PDE3BPDE3A
SCHEMBL3196477 0.88 KCNH2 (0.40) GRM5IDO1PDE3BPDE3A
SCHEMBL3197350 0.87 KCNH2 (0.34)
SCHEMBL4055553 0.86 KCNH2 (0.43)

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 GRM5 3257/4885IDO1 2806/4885PDE3B 748/4885

“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.