SCHEMBL3460259

SCHEMBL3460259

CNC(=O)c1nc(-c2cccc(OCCN3CCc4ccccc4C3)c2)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 8/20 0.53
WDR77 Q9BQA1 7/20 0.53
PIK3CD O00329 5/20 0.49
PIK3CA P42336 5/20 0.49
PIK3CG P48736 5/20 0.49
ATR Q13535 5/20 0.49
PRKDC P78527 1/20 0.49
PIK3CB P42338 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL3461069 0.88 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461852 0.87 CCNE2 (0.59) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461667 0.86 CCNE2 (0.60) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3462137 0.85 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3462055 0.85 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3822499 0.84 PIK3CD (0.52) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460752 0.84 ATR (0.54) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460868 0.84 PIK3CD (0.52) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461192 0.82 ATR (0.51) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461832 0.82 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGATRPRKDC

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 6 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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US 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
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PRMT5 965/4885WDR77 1846/4885PIK3CD 375/4885

“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.