SCHEMBL3462372

SCHEMBL3462372

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nc(-c3cccc(C(=O)NC4Cc5ccccc5C4)c3)cnc2N)C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.59
USP30 Q70CQ3 7/20 0.58
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IGF1R P08069 1/20 0.46

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
SCHEMBL3460566 0.91 USP30 (0.59) ATRUSP30HDAC4HDAC6IGF1R
SCHEMBL3461200 0.91 ATR (0.54) ATRUSP30HDAC4HDAC6IGF1R
SCHEMBL3462051 0.90 ATR (0.53) ATRUSP30
SCHEMBL3834465 0.89 ATR (0.64) ATR
SCHEMBL3459975 0.88 USP30 (0.55) ATRUSP30
SCHEMBL14237296 0.88 USP30 (0.55) ATRUSP30
SCHEMBL3834464 0.88 USP30 (0.55) ATRUSP30
SCHEMBL3462638 0.86 USP30 (0.60) ATRUSP30HDAC4HDAC6
SCHEMBL3460878 0.86 USP30 (0.52) ATRUSP30HDAC4HDAC6IGF1R
SCHEMBL3462247 0.86 USP30 (0.60) ATRUSP30HDAC4HDAC6

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 1315/4885HDAC4 1144/4885

“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.