SCHEMBL3460176

SCHEMBL3460176

CNC(=O)c1nc(-c2cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)C3)cc(C(=O)N[C@@H]3CCc4ccccc43)c2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.47
ATR Q13535 6/20 0.46
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RIPK1 Q13546 2/20 0.42
IGF1R P08069 2/20 0.41
PARP1 P09874 1/20 0.40
HPGDS O60760 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
SCHEMBL3461200 0.92 ATR (0.54) USP30ATRHDAC4HDAC6IGF1R
SCHEMBL3459904 0.88 USP30 (0.60) USP30ATRHDAC4HDAC6PARP1
SCHEMBL3462638 0.88 USP30 (0.60) USP30ATRHDAC4HDAC6PARP1
SCHEMBL3462247 0.88 USP30 (0.60) USP30ATRHDAC4HDAC6PARP1
SCHEMBL3460566 0.86 USP30 (0.59) USP30ATRHDAC4HDAC6IGF1R
SCHEMBL3460181 0.85 ATR (0.55) USP30ATR
SCHEMBL3462182 0.84 USP30 (0.48) USP30ATRPARP1
SCHEMBL14237285 0.83 ATR (0.47) USP30ATR
SCHEMBL3461942 0.82 HPGDS (0.49) ATRHPGDS
SCHEMBL14237314 0.82 ATR (0.49) ATRHPGDS

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
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 USP30 1315/4885ATR 556/4885HDAC4 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.