SCHEMBL21458556

SCHEMBL21458556

COC(OC)C(C)Oc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3cc(O)cc4ccccc34)c(F)c2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.49
CRBN Q96SW2 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GBA1 P04062 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL30187242 1.00 KRAS (0.49) KRASCRBNCNR1CNR2GBA1
SCHEMBL21458554 1.00 KRAS (0.49) KRASCRBNCNR1CNR2GBA1
SCHEMBL21458459 0.90 KRAS (0.51) KRASCRBNCNR1CNR2GBA1
SCHEMBL21458461 0.90 KRAS (0.51) KRASCRBNCNR1CNR2GBA1
SCHEMBL30085115 0.90 KRAS (0.51) KRASCRBNCNR1CNR2GBA1
SCHEMBL30187246 0.88 KRAS (0.51) KRASCRBNTLR9TLR7
SCHEMBL28983553 0.88 KRAS (0.51) KRASCRBNTLR9TLR7
SCHEMBL29939521 0.88 KRAS (0.45) KRAS
SCHEMBL27003478 0.88 KRAS (0.45) KRAS
SCHEMBL27140428 0.88 KRAS (0.45) KRAS

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 9 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
CN-115803030-A Compounds and methods for KRAS-targeted degradation 阿维纳斯企业公司 2023-03-14 CN disclosed
EP-4132655-A1 COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF KRAS Arvinas Operations, Inc. (US) 2023-02-15 EP disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-20220370416-A1 COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF KRAS YALE UNIVERSITY 2022-11-24 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 (5 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-20220370416-A1 COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF KRAS KRAS, MDM2, VHL KRAS 1/4885CRBN 74/4885CNR1 4168/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885CRBN 2/4885CNR1 4649/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885CRBN 2/4885CNR1 4649/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 KRAS 289/4885CRBN 1/4885CNR1 3202/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KRAS 242/4885CRBN 2/4885CNR1 4649/4885

“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.