SCHEMBL9987544

SCHEMBL9987544

CC(Nc1ncnc2[nH]cnc12)c1cc2ccc(Cl)cc2n1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.45
PIK3CG P48736 9/20 0.43
PIK3R1 P27986 6/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CB P42338 6/20 0.43
ABCB11 O95342 1/20 0.43
TBXA2R P21731 1/20 0.43
HTR2A P28223 1/20 0.43
PDE3A Q14432 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.39
MAP4K4 O95819 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
Trifluoroacetic Acid SCHEMBL9999148 0.94 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL9986601 0.85 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677693 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677896 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16678012 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677252 0.84 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677857 0.84 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677473 0.84 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677996 0.82 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16677247 0.82 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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 11 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 claimed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO claimed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US claimed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
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
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
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US 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.