SCHEMBL9986350

SCHEMBL9986350

CC(Nc1ncnc2c1ncn2OC(=O)C(F)(F)F)c1c(Br)c2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.37
PIK3CG P48736 5/20 0.34
PIK3R1 P27986 5/20 0.34
PIK3CB P42338 4/20 0.34
PIK3CA P42336 3/20 0.34
RPS6KB1 P23443 3/20 0.33
PDPK1 O15530 2/20 0.33
AURKA O14965 1/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9986463 0.92 PIK3CD (0.37) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9999184 0.91 PIK3CD (0.37) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9999346 0.85 PIK3CD (0.37) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9999320 0.84 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
Trifluoroacetic Acid SCHEMBL9986345 0.80 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9999150 0.79 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9998908 0.76 PIK3CD (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2163716 0.76 PIK3CD (0.43) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12074545 0.72 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2053832 0.72 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 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-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 8/4885PIK3CG 12/4885PIK3R1 4/4885

“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.