SCHEMBL3461383

SCHEMBL3461383

CSc1ccc(CNC(=O)c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCN(C(=O)OC(C)(C)C)C4)n3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.48
ATR Q13535 9/20 0.48
HDAC1 Q13547 1/20 0.43
ACVR1 Q04771 2/20 0.42
PARP1 P09874 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
SCHEMBL3459975 0.92 USP30 (0.55) USP30ATR
SCHEMBL3459791 0.92 USP30 (0.49) USP30ATRHDAC1ACVR1
SCHEMBL3460934 0.91 USP30 (0.49) USP30ATRHDAC1ACVR1
SCHEMBL3474050 0.90 ATR (0.53) ATRACVR1
SCHEMBL3462165 0.89 USP30 (0.47) USP30ATRHDAC1
SCHEMBL3460686 0.89 USP30 (0.48) USP30ATRHDAC1ACVR1
SCHEMBL3831526 0.88 USP30 (0.49) USP30ATRHDAC1
SCHEMBL3461563 0.88 ATR (0.58) USP30ATRHDAC1
SCHEMBL3821089 0.86 USP30 (0.54) USP30ATR
SCHEMBL3461332 0.86 ATR (0.51) USP30ATRACVR1PARP1

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 USP30 1315/4885ATR 556/4885HDAC1 923/4885

“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.