SCHEMBL3461634

SCHEMBL3461634

CNC(=O)c1nc(-c2cccc(C(=O)NC3Cc4ccccc4C3)c2)cnc1N

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.63
PIK3CD O00329 4/20 0.58
PIK3CA P42336 4/20 0.58
PIK3CG P48736 4/20 0.58
PIK3CB P42338 2/20 0.56
TYRO3 Q06418 2/20 0.52
PRKDC P78527 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL3460413 0.90 ATR (0.72) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460257 0.88 ATR (0.67) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3825300 0.87 ATR (0.66) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461722 0.85 ATR (0.54) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460297 0.85 ATR (0.54) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL14237274 0.85 ATR (0.59) ATRTYRO3
SCHEMBL3460884 0.85 ATR (0.59) ATRTYRO3
SCHEMBL3461596 0.85 PIK3CD (0.72) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460892 0.84 ATR (0.62) ATRPRKDCATM
SCHEMBL3461621 0.84 ATR (0.56) ATRPIK3CDPIK3CAPIK3CGPIK3CB

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 5 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
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 556/4885PIK3CD 375/4885PIK3CA 463/4885

“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.