SCHEMBL3461832

SCHEMBL3461832

CCOC(=O)N1CCN(CCOc2cccc(-c3cnc(N)c(C(=O)NC)n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.49
PIK3CA P42336 6/20 0.49
PIK3CG P48736 6/20 0.49
ATR Q13535 7/20 0.48
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
PRKDC P78527 1/20 0.47
PIK3CB P42338 4/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
TYRO3 Q06418 1/20 0.43

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
SCHEMBL3462055 0.91 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3461069 0.90 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3462137 0.89 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3461852 0.89 CCNE2 (0.59) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3461667 0.88 CCNE2 (0.60) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3822499 0.86 PIK3CD (0.52) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3460752 0.86 ATR (0.54) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3460868 0.85 PIK3CD (0.52) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3462092 0.83 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGATRCCNE2
SCHEMBL3461192 0.82 ATR (0.51) PIK3CDPIK3CAPIK3CGATRCCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PIK3CD 375/4885PIK3CA 463/4885PIK3CG 477/4885

“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.