Sugi Predict

Sugi Predict / Compounds / SCHEMBL21458920

SCHEMBL21458920

SCHEMBL21458920

CCOC(=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 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 3/20 0.44
▸ HTT P42858 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR9 Q9NR96 3/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ SUV39H2 Q9H5I1 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PGK1 P00558 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34

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 0.94 KRAS (0.44) KRASHTTTSHRNPSR1HSD17B10
SCHEMBL21458696 0.93 KRAS (0.44) KRASTLR9KCNH2SUV39H2PGK1
SCHEMBL21458519 0.90 KRAS (0.54) KRASHTTTSHRNPSR1HSD17B10
SCHEMBL22973106 0.89 KRAS (0.44) KRASHTTTSHRNPSR1HSD17B10
SCHEMBL16637082 0.87 KRAS (0.45) KRASTLR9KCNH2SUV39H2KIT
SCHEMBL30213358 0.85 KRAS (0.48) KRASHTTTSHRNPSR1HSD17B10
SCHEMBL22324758 0.85 KRAS (0.48) KRASHTTTSHRNPSR1HSD17B10
SCHEMBL31658110 0.84 TLR9 (0.38) KRASTLR9KCNH2SUV39H2CNR1
SCHEMBL18128518 0.84 TLR9 (0.38) KRASTLR9KCNH2SUV39H2CNR1
SCHEMBL21458919 0.82 KRAS (0.39) KRASHTTTSHRNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594275-B2 Immunophilin binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-04-07 — — US disclosed
US-12558356-B2 Immunophilin binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-02-24 — — US disclosed
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 — — US disclosed
US-20250108052-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-04-03 — — US disclosed
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-02 — — US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 — — US disclosed
US-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 — — 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
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO 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 (9 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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 KRAS 4617/4885HTT 2876/4885TSHR 4244/4885
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF PMP22, MAG, FABP7 KRAS 4804/4885HTT 853/4885TSHR 3931/4885
US-12594275-B2 Immunophilin binding agents and uses thereof CCR1, CCRL2, CCR3 KRAS 4381/4885HTT 3139/4885TSHR 541/4885
US-20250108052-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF SERPINA6, SELPLG, FABP7 KRAS 4819/4885HTT 1047/4885TSHR 3790/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885HTT 748/4885TSHR 4501/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885HTT 748/4885TSHR 4501/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 KRAS 289/4885HTT 747/4885TSHR 2253/4885
US-12558356-B2 Immunophilin binding agents and uses thereof CCRL2, CFB, CCR3 KRAS 3896/4885HTT 3009/4885TSHR 614/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KRAS 242/4885HTT 748/4885TSHR 4501/4885

“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.