SCHEMBL10124469

SCHEMBL10124469

O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
PIK3CB P42338 6/20 0.49
EPHX2 P34913 12/20 0.49
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
EPHX1 P07099 2/20 0.44

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
SCHEMBL10124482 0.90 PIK3CD (0.57) PIK3CDPIK3CB
SCHEMBL10124462 0.90 PIK3CD (0.55) PIK3CDPIK3CB
SCHEMBL10124487 0.89 PIK3CD (0.57) PIK3CDPIK3CB
SCHEMBL10124471 0.87 PIK3CD (0.53) PIK3CDPIK3CB
SCHEMBL10124492 0.87 PIK3CD (0.58) PIK3CDPIK3CB
SCHEMBL10124478 0.83 PIK3CD (0.52) PIK3CDPIK3CBCCNCCDK8
SCHEMBL10154266 0.83 PIK3CB (0.68) PIK3CDPIK3CB
SCHEMBL10124531 0.82 PIK3CD (0.58) PIK3CDPIK3CB
SCHEMBL10124535 0.81 PIK3CD (0.59) PIK3CDPIK3CB
SCHEMBL10124520 0.81 PIK3CD (0.56) PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PIK3CD 7/4885PIK3CB 13/4885EPHX2 1041/4885

“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.