SCHEMBL21458484

SCHEMBL21458484

COCOc1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 10/20 0.51
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
EGFR P00533 1/20 0.45
HMOX2 P30519 1/20 0.45
CRYZ Q08257 1/20 0.45
VAT1 Q99536 1/20 0.45
RTN4 Q9NQC3 1/20 0.45
KIT P10721 2/20 0.44
ACHE P22303 1/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
GBA1 P04062 2/20 0.37
DPP4 P27487 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL22973190 0.88 KRAS (0.49) KRASEGFRHMOX2CRYZVAT1
SCHEMBL27209833 0.86 KRAS (0.44) KRASCNR1CNR2ACHETLR9
SCHEMBL27209817 0.85 KRAS (0.51) KRASTLR9TLR7
SCHEMBL21458573 0.84 KRAS (0.45) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23415350 0.83 KRAS (0.56) KRASCNR1CNR2EGFRHMOX2
SCHEMBL29888689 0.83 KRAS (0.56) KRASCNR1CNR2EGFRHMOX2
SCHEMBL29901337 0.83 KRAS (0.56) KRASCNR1CNR2EGFRHMOX2
SCHEMBL21458502 0.83 KRAS (0.55) KRASCNR1CNR2KITACHE
SCHEMBL22555309 0.83 CNR1 (0.44) KRASCNR1CNR2KIT
SCHEMBL22029119 0.82 KRAS (0.75) KRASCNR1CNR2EGFRHMOX2

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 242/4885CNR1 4649/4885CNR2 4607/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885CNR1 4649/4885CNR2 4607/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 KRAS 289/4885CNR1 3202/4885CNR2 3943/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KRAS 242/4885CNR1 4649/4885CNR2 4607/4885

“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.