SCHEMBL3462072

SCHEMBL3462072

CC(C)(C)OC(=O)NCc1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.53
ATR Q13535 4/20 0.46
PARP1 P09874 1/20 0.46
ACVR1 Q04771 1/20 0.44
GABRA5 P31644 1/20 0.44
ROCK2 O75116 1/20 0.44
ACVR2A P27037 1/20 0.44
TGFBR2 P37173 1/20 0.44
TYRO3 Q06418 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ANO1 Q5XXA6 1/20 0.43

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
SCHEMBL3461780 0.94 ATR (0.48) USP30ATRACVR1ROCK2ACVR2A
SCHEMBL3824904 0.91 USP30 (0.56) USP30ATRPARP1ACVR1GABRA5
SCHEMBL3461531 0.91 USP30 (0.56) USP30ATRPARP1ACVR1GABRA5
SCHEMBL14219179 0.87 USP30 (0.47) USP30ATRPARP1GABRA5ACVR2A
SCHEMBL14219173 0.87 USP30 (0.47) USP30ATRPARP1GABRA5ACVR2A
SCHEMBL3459975 0.85 USP30 (0.55) USP30ATR
SCHEMBL1792224 0.85 USP30 (0.47) USP30ATRPARP1HDAC4HDAC6
SCHEMBL1791954 0.85 USP30 (0.47) USP30ATRPARP1HDAC4HDAC6
SCHEMBL14668530 0.84 USP30 (0.45) USP30ATRPARP1GABRA5TYRO3
SCHEMBL14668533 0.84 USP30 (0.45) USP30ATRPARP1GABRA5TYRO3

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 USP30 1315/4885ATR 556/4885PARP1 1749/4885

“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.