SCHEMBL2447802

SCHEMBL2447802

CC(C)(C)c1cc(-c2cc(F)c[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
PIP4K2A P48426 4/20 0.40
PIP4K2B P78356 4/20 0.40
MAPK10 P53779 5/20 0.37
MAP2K4 P45985 1/20 0.37
KIF11 P52732 2/20 0.37
ABL1 P00519 1/20 0.37
TNIK Q9UKE5 2/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SGK1 O00141 1/20 0.36

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
SCHEMBL16143783 0.86 DYRK1B (0.43) DYRK1BCLK1DYRK1ADYRK2PIP4K2A
SCHEMBL1703193 0.86 SGK1 (0.40) DYRK1BCLK1DYRK1ADYRK2MAP2K4
SCHEMBL1702278 0.81 IKBKB (0.40) DYRK1BCLK1DYRK1ADYRK2PIP4K2A
SCHEMBL2444702 0.80 CYP3A4 (0.44) DYRK1BCLK1DYRK1ADYRK2MAPK10
SCHEMBL12302429 0.79 DYRK1B (0.38) DYRK1BCLK1DYRK1ADYRK2PIP4K2A
SCHEMBL1542770 0.74 CYP3A4 (0.50)
SCHEMBL1348856 0.73 CYP3A4 (0.51) PIP4K2APIP4K2BMAP2K4KIF11
SCHEMBL1348857 0.73 CYP3A4 (0.51) PIP4K2APIP4K2BMAP2K4KIF11
SCHEMBL1702563 0.73 TDO2 (0.41)
SCHEMBL1702496 0.72 PIP4K2A (0.40) DYRK1BCLK1DYRK1ADYRK2PIP4K2A

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 7 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
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 DYRK1B 4742/4885CLK1 4047/4885DYRK1A 4791/4885

“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.