SCHEMBL4054256

SCHEMBL4054256

FC(F)(F)c1cc(-c2ccncc2)ccc1-c1ccc(CBr)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
KIF11 P52732 1/20 0.37
PDK2 Q15119 1/20 0.37
WNT3A P56704 4/20 0.36
USP1 O94782 2/20 0.36
WDR48 Q8TAF3 2/20 0.36
CHRM5 P08912 1/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
KCNH2 Q12809 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CYP17A1 P05093 1/20 0.34

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
SCHEMBL4052522 0.87 S1PR1 (0.44) CYP3A4PDE3BPDE3AS1PR1PDK2
SCHEMBL4053188 0.75 NOTUM (0.43) PDE3BPDE3AS1PR1CYP11B1CYP11B2
SCHEMBL4052825 0.74 AR (0.42)
SCHEMBL4050250 0.67 MEN1 (0.41) CYP3A4
SCHEMBL31375482 0.66 LOXL2 (0.49) CYP3A4AAK1KIF11USP1WDR48
SCHEMBL13598440 0.66 PRKCI (0.49) PDE3BPDE3AS1PR1S1PR3KIF11
SCHEMBL4109897 0.66 FEN1 (0.48) CYP11B1CYP11B2KCNH2
SCHEMBL4054186 0.66 NOTUM (0.46) PDE3BPDE3AKIF11RXRARXRB
SCHEMBL29574545 0.65 CCR1 (0.40) CYP3A4CYP11B1CYP11B2
SCHEMBL2891450 0.65 CCR1 (0.40) CYP3A4CYP11B1CYP11B2

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 2 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 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 CYP3A4 1025/4885AAK1 3889/4885PDE3B 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.