SCHEMBL3460137

SCHEMBL3460137

CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2nc(-c3cccc(C(=O)N[C@@H]4c5ccccc5C[C@@H]4O)c3)cnc2N)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
USP30 Q70CQ3 1/20 0.43
ACKR3 P25106 1/20 0.42
TYRO3 Q06418 2/20 0.42
MMP9 P14780 1/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL3462315 1.00 ATR (0.46) ATRKDM4EPKMUSP30ACKR3
SCHEMBL3461644 0.91 ATR (0.51) ATRTYRO3
SCHEMBL3462575 0.91 ATR (0.51) ATRTYRO3
SCHEMBL14237285 0.89 ATR (0.47) ATRKDM4EPKMUSP30ACKR3
SCHEMBL3460022 0.85 ATR (0.54) ATRUSP30TYRO3MMP9
SCHEMBL3460009 0.85 KDM4E (0.51) ATRKDM4EPKMUSP30ACKR3
SCHEMBL3462316 0.82 ATR (0.49) ATRTYRO3
SCHEMBL3460139 0.82 ATR (0.49) ATRTYRO3
SCHEMBL3461131 0.81 TYRO3 (0.60) ATRTYRO3
SCHEMBL3459643 0.81 TYRO3 (0.60) ATRTYRO3

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 4 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
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 556/4885KDM4E 1532/4885PKM 347/4885

“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.