SCHEMBL3196477

SCHEMBL3196477

Fc1cccc(-c2nc3c([nH]2)C=NN(Cc2ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cn2)C3)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
IDO1 P14902 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GRM5 P41594 1/20 0.31
GRIN2B Q13224 2/20 0.31
CNR2 P34972 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
CYP2C9 P11712 1/20 0.30
SCN9A Q15858 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
SCHEMBL4056899 0.94 KCNH2 (0.34) KCNH2IDO1PDE3BPDE3AALOX5AP
SCHEMBL4051558 0.94 KCNH2 (0.39) KCNH2PDE3BPDE3AALOX5APFEN1
SCHEMBL4048287 0.92 KCNH2 (0.37) KCNH2IDO1PDE3BPDE3AALOX5AP
SCHEMBL4053373 0.92 IDO1 (0.34) KCNH2IDO1PDE3BPDE3AGRM5
SCHEMBL4052617 0.90 IDO1 (0.34) KCNH2IDO1GRIN2BCNR2
SCHEMBL4051020 0.89 AVPR2 (0.34) KCNH2IDO1PDE3BPDE3AGRM5
SCHEMBL4052832 0.89 KCNH2 (0.41) KCNH2IDO1PDE3BPDE3AALOX5AP
SCHEMBL4054989 0.88 GRM5 (0.33) IDO1PDE3BPDE3AGRM5
SCHEMBL4052584 0.87 KCNH2 (0.37) KCNH2IDO1PDE3BPDE3AALOX5AP
SCHEMBL3198413 0.87 KCNH2 (0.49) KCNH2PDE3BPDE3ATRPV3

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
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US claimed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US disclosed
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 (2 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 KCNH2 2124/4885IDO1 2806/4885PDE3B 748/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 KCNH2 4098/4885IDO1 2801/4885PDE3B 2301/4885

“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.