SCHEMBL3461099

SCHEMBL3461099

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.68
PRKDC P78527 4/20 0.68
ATM Q13315 2/20 0.68
PIK3CD O00329 8/20 0.60
PIK3CA P42336 8/20 0.60
PIK3CG P48736 8/20 0.60
PIK3CB P42338 6/20 0.60
ACVR2A P27037 1/20 0.53
TGFBR2 P37173 1/20 0.53
ACVR1 Q04771 1/20 0.53
ATRIP Q8WXE1 1/20 0.53

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
SCHEMBL13138608 0.89 ATR (0.70) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3462523 0.87 ATR (0.69) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3460993 0.86 ATR (0.71) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3459908 0.86 ATR (0.72) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3462574 0.86 ATR (0.68) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL16420739 0.85 ACVR1 (0.62) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3460862 0.85 ATR (0.72) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3462733 0.85 ATR (0.59) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3460661 0.85 ATR (0.70) ATRPRKDCATMPIK3CDPIK3CA
SCHEMBL3460700 0.85 ATR (0.59) ATRPRKDCATMPIK3CDPIK3CA

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 ATR 556/4885PRKDC 124/4885ATM 398/4885

“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.