Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786492

SCHEMBL21786492

SCHEMBL21786492

CC(C)CCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1cncc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ STIM1 Q13586 3/20 0.32
▸ ORAI1 Q96D31 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MGAM O43451 1/20 0.31

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
SCHEMBL22791224 0.89 PPARD (0.34) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL21786488 0.88 SCN9A (0.35) —
SCHEMBL21786426 0.88 PPARD (0.33) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL22790743 0.85 FYN (0.38) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL22791329 0.84 MGAM (0.33) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL21786497 0.83 PTGER1 (0.39) STIM1ORAI1KMT2APTGS1PTGS2
SCHEMBL22791180 0.82 COMT (0.36) STIM1ORAI1ALOX5PTGS1PTGS2
SCHEMBL21786554 0.81 GPBAR1 (0.36) STIM1ORAI1CYP11B1CYP11B2
SCHEMBL21786504 0.80 PTGDR2 (0.36) STIM1ORAI1ALOX5PTGS1PTGS2
SCHEMBL21786545 0.80 HPGD (0.37) KMT2ACYP11B1CYP11B2ESR1MGAM

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 DYRK3 2824/4885CCNT1 120/4885CCNA2 49/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 DYRK3 2824/4885CCNT1 120/4885CCNA2 49/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 DYRK3 2824/4885CCNT1 120/4885CCNA2 49/4885

“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.