SCHEMBL2450318

SCHEMBL2450318

[2H]C([2H])([2H])C(c1cc(-c2ccc[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2c1OC)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
MAPK10 P53779 11/20 0.42
PIP4K2A P48426 3/20 0.42
PIP4K2B P78356 3/20 0.42
PIP4K2C Q8TBX8 1/20 0.42
DYRK1B Q9Y463 2/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL1702764 0.94 CYP3A4 (0.57) CYP3A4MAPK10PIP4K2APIP4K2BPIP4K2C
SCHEMBL1702550 0.87 MAPK10 (0.39) CYP3A4MAPK10PIP4K2APIP4K2BPIP4K2C
SCHEMBL16508295 0.85 CYP3A4 (0.49) CYP3A4MAPK10PIP4K2APIP4K2BPIP4K2C
SCHEMBL1702735 0.84 CYP3A4 (0.47) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1702777 0.82 CYP3A4 (0.44) CYP3A4MAPK10DYRK1BCLK1DYRK1A
SCHEMBL2444702 0.81 CYP3A4 (0.44) CYP3A4MAPK10DYRK1BCLK1DYRK1A
SCHEMBL1703190 0.81 CYP3A4 (0.41) CYP3A4MAPK10DYRK1BCLK1DYRK1A
SCHEMBL29461413 0.81 CYP3A4 (0.41) CYP3A4MAPK10DYRK1BCLK1DYRK1A
SCHEMBL3727490 0.81 CYP3A4 (0.41) CYP3A4MAPK10DYRK1BCLK1DYRK1A
SCHEMBL1702596 0.81 CYP3A4 (0.41) CYP3A4MAPK10DYRK1BCLK1DYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed

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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 CYP3A4 50/4885MAPK10 3770/4885PIP4K2A 2111/4885

“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.