SCHEMBL3461288

SCHEMBL3461288

CC(C)(C)C1[C@@H](NC(=O)c2nc(-c3cccc(C(=O)NCc4c(F)cccc4Cl)c3)cnc2N)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.44
MET P08581 1/20 0.44
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
EGFR P00533 2/20 0.39
RAF1 P04049 2/20 0.39
MAPK1 P28482 2/20 0.39
MTOR P42345 2/20 0.39
MAP2K1 Q02750 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3460688 0.88 ATR (0.46) ATR
SCHEMBL3459793 0.88 ATR (0.47) ATR
SCHEMBL3461680 0.87 ATR (0.45) ATR
SCHEMBL3461314 0.84 ATR (0.46) ATRROCK2MAPK1
SCHEMBL3460935 0.84 ATR (0.46) ATR
SCHEMBL3461385 0.84 ATR (0.46) ATR
SCHEMBL3460162 0.83 ATR (0.56) ATRMETROCK2ROCK1
SCHEMBL3462166 0.83 TYRO3 (0.47) ATRCYP2C9
SCHEMBL3459955 0.83 ATR (0.51) ATR
SCHEMBL3462975 0.83 ATR (0.51) ATRMET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
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 556/4885MET 1293/4885ROCK2 739/4885

“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.