Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786528

SCHEMBL21786528

SCHEMBL21786528

Cn1nc(-c2ccc(O)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ DYRK3 O43781 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 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
SCHEMBL21786501 0.86 AKR1C3 (0.40) ALDH1A1FYNDYRK3CCNT1CCNA2
SCHEMBL21786507 0.81 AGER (0.36) ALDH1A1DYRK3CCNT1CCNA2CDK2
SCHEMBL21786535 0.79 THRB (0.36) KDM4ERAB9A
SCHEMBL21786527 0.78 RAB9A (0.39) ALDH1A1CNR1CNR2KDM4ECYP3A4
SCHEMBL21786590 0.78 NPSR1 (0.36) ALDH1A1CNR1L3MBTL1TDP1
SCHEMBL21786616 0.77 THRB (0.39) CNR1CNR2GAAL3MBTL1
SCHEMBL21786609 0.77 CYP11B1 (0.35) —
SCHEMBL21786478 0.76 CTSS (0.39) CNR2IKBKB
SCHEMBL21786612 0.76 HSP90AA1 (0.36) HPGDHSD17B10
SCHEMBL16964034 0.75 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1CYP1A2CYP3A4

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 ALDH1A1 3133/4885CNR1 2368/4885CNR2 3185/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALDH1A1 3133/4885CNR1 2368/4885CNR2 3185/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 ALDH1A1 3133/4885CNR1 2368/4885CNR2 3185/4885

“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.