SCHEMBL21458696

SCHEMBL21458696

COC(=O)CCNc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(Br)c(F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.44
TLR9 Q9NR96 4/20 0.41
SUV39H2 Q9H5I1 5/20 0.39
KCNH2 Q12809 2/20 0.38
KDM1A O60341 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
GBA1 P04062 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALK Q9UM73 2/20 0.36
SLC2A1 P11166 1/20 0.36
PGK1 P00558 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL30244730 0.96 KRAS (0.44) KRASTLR9SUV39H2KCNH2KDM1A
SCHEMBL21458920 0.93 KRAS (0.44) KRASTLR9SUV39H2KCNH2KDM1A
SCHEMBL21458519 0.91 KRAS (0.54) KRASTLR9SUV39H2KCNH2KDM1A
SCHEMBL16637082 0.89 KRAS (0.45) KRASTLR9SUV39H2KCNH2KDM1A
SCHEMBL21458666 0.84 KRAS (0.48) KRASTLR9SUV39H2GBA1DNMT3A
SCHEMBL30147408 0.84 KRAS (0.48) KRASTLR9SUV39H2GBA1DNMT3A
SCHEMBL30147416 0.84 KRAS (0.48) KRASTLR9SUV39H2GBA1DNMT3A
SCHEMBL18128518 0.84 TLR9 (0.38) KRASTLR9SUV39H2KCNH2TLR7
SCHEMBL31658110 0.84 TLR9 (0.38) KRASTLR9SUV39H2KCNH2TLR7
SCHEMBL25636288 0.83 TLR9 (0.38) KRASTLR9SUV39H2KCNH2DNMT3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 CN disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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 (4 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885TLR9 4850/4885SUV39H2 2251/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885TLR9 4850/4885SUV39H2 2251/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 KRAS 289/4885TLR9 4697/4885SUV39H2 2486/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KRAS 242/4885TLR9 4850/4885SUV39H2 2251/4885

“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.