SCHEMBL3461252

SCHEMBL3461252

CNC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.73
PRKDC P78527 3/20 0.73
PIK3CD O00329 2/20 0.61
PIK3CA P42336 2/20 0.61
PIK3CB P42338 2/20 0.61
PIK3CG P48736 2/20 0.61
ATRIP Q8WXE1 1/20 0.60
ATM Q13315 1/20 0.58

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
SCHEMBL23732465 0.88 ATR (0.89) ATRPRKDCATRIPATM
SCHEMBL2482986 0.87 ATR (0.69) ATRPRKDCATRIP
SCHEMBL3460677 0.85 ATR (0.77) ATRPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL30977050 0.85 ATR (0.70) ATRPRKDCATRIPATM
SCHEMBL2486014 0.85 ATR (0.70) ATRPRKDCATRIPATM
SCHEMBL3460957 0.85 ATR (0.76) ATRPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL30200156 0.84 ATR (1.00) ATRPRKDCATRIPATM
SCHEMBL2483543 0.84 ATR (1.00) ATRPRKDCATRIPATM
SCHEMBL3461099 0.84 ATR (0.68) ATRPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL13138608 0.84 ATR (0.70) ATRPRKDCPIK3CDPIK3CAPIK3CB

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 ATR 556/4885PRKDC 124/4885PIK3CD 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.