SCHEMBL21458502

SCHEMBL21458502

CCOC(=O)CCNc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3cc(OCOC)cc4ccccc34)c(F)c2n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.55
CRBN Q96SW2 1/20 0.40
TLR9 Q9NR96 4/20 0.39
ACHE P22303 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SLC2A1 P11166 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
P2RY12 Q9H244 2/20 0.34
MERTK Q12866 1/20 0.34
KIT P10721 1/20 0.34
DPP4 P27487 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33

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
SCHEMBL22973161 0.92 KRAS (0.55) KRASCRBNP2RY12
SCHEMBL22973193 0.89 KRAS (0.54) KRASCRBNTLR7P2RY12MERTK
SCHEMBL21458517 0.86 KRAS (0.67) KRASCRBNTLR9ACHESLC2A1
SCHEMBL30244610 0.85 KRAS (0.68) KRASCRBNTLR9ACHECNR1
SCHEMBL21458892 0.84 KRAS (0.59) KRASCRBNCNR1CNR2P2RY12
SCHEMBL21458484 0.83 KRAS (0.51) KRASTLR9ACHECNR1CNR2
SCHEMBL21458735 0.83 KRAS (0.68) KRASCRBNTLR9ACHESLC2A1
SCHEMBL21458368 0.82 KRAS (0.80) KRASCRBNTLR9ACHECNR1
SCHEMBL22324758 0.82 KRAS (0.48) KRASCRBNTLR9CNR1CNR2
SCHEMBL30213358 0.82 KRAS (0.48) KRASCRBNTLR9CNR1CNR2

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 242/4885CRBN 2/4885TLR9 4850/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885CRBN 2/4885TLR9 4850/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 KRAS 289/4885CRBN 1/4885TLR9 4697/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KRAS 242/4885CRBN 2/4885TLR9 4850/4885

“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.