SCHEMBL15029957

SCHEMBL15029957

CCOC(=O)N1CCC(NC(=O)[C@H]2CC[C@H](Oc3cc(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)n3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PIK3CD O00329 14/20 0.50
PIK3CA P42336 11/20 0.50
PIK3CG P48736 8/20 0.50
PIK3R1 P27986 1/20 0.47

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
SCHEMBL15029958 0.92 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308583 0.91 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308608 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029511 0.90 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308581 0.90 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308582 0.89 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308640 0.89 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029884 0.88 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029541 0.87 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030100 0.87 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885KDM4E 3636/4885ALDH1A1 1855/4885

“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.