SCHEMBL3460022

SCHEMBL3460022

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2nc(-c3cccc(C(=O)N[C@@H]4c5ccccc5C[C@@H]4O)c3)cnc2N)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.54
USP30 Q70CQ3 2/20 0.51
TYRO3 Q06418 2/20 0.44
ACVR2A P27037 1/20 0.42
TGFBR2 P37173 1/20 0.42
MMP9 P14780 1/20 0.42
ACVR1 Q04771 1/20 0.41

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
SCHEMBL3460181 0.89 ATR (0.55) ATRUSP30TYRO3ACVR2ATGFBR2
SCHEMBL3460180 0.87 ATR (0.54) ATRUSP30TYRO3ACVR2ATGFBR2
SCHEMBL3460801 0.87 ATR (0.54) ATRUSP30TYRO3ACVR2ATGFBR2
SCHEMBL3462406 0.86 ATR (0.54) ATRUSP30TYRO3
SCHEMBL3461613 0.86 ATR (0.54) ATRUSP30TYRO3
SCHEMBL3462315 0.85 ATR (0.46) ATRUSP30TYRO3MMP9
SCHEMBL3460137 0.85 ATR (0.46) ATRUSP30TYRO3MMP9
SCHEMBL14237408 0.84 ATR (0.52) ATRTYRO3ACVR2ATGFBR2
SCHEMBL3460479 0.84 ATR (0.65) ATRTYRO3
SCHEMBL3462638 0.83 USP30 (0.60) ATRUSP30

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 556/4885USP30 1315/4885TYRO3 790/4885

“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.