Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786552

SCHEMBL21786552

SCHEMBL21786552

Cn1nc(-c2ccc(OCCCNC(=O)OC(C)(C)C)c(-c3cncc(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ SUCNR1 Q9BXA5 1/20 0.32

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
SCHEMBL21786554 0.86 GPBAR1 (0.36) DRD2PDK2CA12CA1CA2
SCHEMBL21786489 0.85 AGER (0.35) CYP11B1CYP11B2
SCHEMBL22790958 0.84 AAK1 (0.39) DRD2PDK2CA12CA1CA2
SCHEMBL22791129 0.84 ALOX5 (0.32) ALOX5EPHX2
SCHEMBL22791006 0.83 PPARD (0.33) CYP11B1CYP11B2
SCHEMBL22791329 0.81 MGAM (0.33) PDK2CYP11B1CYP11B2
SCHEMBL21786438 0.80 — —
SCHEMBL21786440 0.79 PDK2 (0.37) PDK2CA12CA1CA2CA9
SCHEMBL21786493 0.77 PTGER1 (0.39) —
SCHEMBL21786507 0.76 AGER (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 — — US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 — — US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 — — WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 — — US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — WO 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 DRD2 2925/4885PDK2 505/4885CA12 4843/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 DRD2 2925/4885PDK2 505/4885CA12 4843/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 DRD2 2925/4885PDK2 505/4885CA12 4843/4885

“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.