SCHEMBL1702944

SCHEMBL1702944

COc1c(C(C)(C)C)cc(NC(C)=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.45
PIP4K2B P78356 4/20 0.45
MAPK10 P53779 9/20 0.44
DYRK1B Q9Y463 3/20 0.42
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.42
DYRK2 Q92630 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CD O00329 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL3765367 0.84 MAPK10 (0.44) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL16143779 0.78 MAPK10 (0.39) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL2452363 0.77 MAPK10 (0.46) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL3727490 0.77 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702596 0.77 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1703190 0.77 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702764 0.77 CYP3A4 (0.57) PIP4K2APIP4K2BMAPK10DYRK1BDYRK1A
SCHEMBL29461413 0.77 CYP3A4 (0.41) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702454 0.76 KIF11 (0.47) MAPK10DYRK1BDYRK1ACLK1DYRK2
SCHEMBL1702892 0.76 DYRK1B (0.46) PIP4K2APIP4K2BMAPK10DYRK1BDYRK1A

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
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO 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 PIP4K2A 2111/4885PIP4K2B 1750/4885MAPK10 3770/4885

“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.