SCHEMBL2018303

SCHEMBL2018303

CC(OS(C)(=O)=O)c1cc(C#N)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.41
BCL2 P10415 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAP4K4 O95819 1/20 0.36
SCN9A Q15858 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE4B Q07343 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL12470338 0.84 PIK3CD (0.42) PIK3CDBCL2MAP4K4PDE4APDE4C
SCHEMBL2010635 0.83 PIK3CD (0.44) PIK3CDBCL2MAP4K4PDE4APDE4C
SCHEMBL2013331 0.83 PIK3CD (0.44) PIK3CDBCL2MAP4K4
SCHEMBL12469976 0.80 PIK3CD (0.43) PIK3CDBCL2MAP4K4PDE4APDE4C
SCHEMBL15621512 0.80 PIK3CD (0.43) PIK3CDBCL2MAP4K4
SCHEMBL2018305 0.78 SCN9A (0.36) PIK3CDNR1H2NR1H3MAP4K4SCN9A
SCHEMBL15617714 0.78 PIK3CD (0.41) PIK3CDBCL2MAP4K4PDE4APDE4C
SCHEMBL2016600 0.74 MAP4K4 (0.37) PIK3CDBCL2NR1H2NR1H3MAP4K4
SCHEMBL2013344 0.74 MAP4K4 (0.41) PIK3CDMAP4K4PDE4APDE4CPDE4D
SCHEMBL2016845 0.72 PIK3CD (0.62) PIK3CDBCL2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885BCL2 1174/4885NR1H2 475/4885

“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.