SCHEMBL3460757

SCHEMBL3460757

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

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.76
PRKDC P78527 2/20 0.76
PIK3CD O00329 10/20 0.67
PIK3CA P42336 10/20 0.67
PIK3CG P48736 10/20 0.67
PIK3CB P42338 7/20 0.66
TYRO3 Q06418 1/20 0.63
DYRK1A Q13627 1/20 0.55
PLK1 P53350 1/20 0.55

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
SCHEMBL3461816 0.88 PIK3CD (0.64) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3461554 0.88 PIK3CD (0.64) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3460406 0.88 ATR (0.72) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3462082 0.86 ATR (0.70) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3461445 0.86 AURKA (0.59) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3462364 0.85 PIK3CD (0.61) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3461893 0.85 PIK3CD (0.72) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3461596 0.85 PIK3CD (0.72) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3460862 0.85 ATR (0.72) ATRPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3459935 0.85 ATR (0.68) ATRPRKDCPIK3CDPIK3CAPIK3CG

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 11 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
EP-1606267-B1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2008-07-30 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
EP-1606267-B1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2008-07-30 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.