SCHEMBL21786554

SCHEMBL21786554

Cn1nc(C(F)(F)F)cc1-c1ccc(OCCCNC(=O)OC(C)(C)C)c(-c2cncc(C(F)(F)F)c2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
DRD2 P14416 1/20 0.35
CSNK1D P48730 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PDK2 Q15119 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
AXL P30530 1/20 0.33
BRD4 O60885 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RORC P51449 1/20 0.33
P2RY14 Q15391 1/20 0.33

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
SCHEMBL22791223 0.87 HTR2A (0.34) EGLN2ALDH1A1LMNAHPGDHTT
SCHEMBL21786552 0.86 DRD2 (0.37) GPBAR1DRD2CSNK1DCA12CA1
SCHEMBL22791224 0.85 PPARD (0.34) SCN9ACYP11B1CYP11B2STIM1ORAI1
SCHEMBL21786509 0.84 AAK1 (0.36) DRD2CA12CA1CA2CA9
SCHEMBL22790983 0.84 ALOX5 (0.31) ALDH1A1LMNAHPGDHTTSTIM1
SCHEMBL21786426 0.83 PPARD (0.33) CYP11B1CYP11B2STIM1ORAI1
SCHEMBL21786440 0.82 PDK2 (0.37) GPBAR1CA12CA1CA2CA9
SCHEMBL21786492 0.81 DYRK3 (0.32) CYP11B1CYP11B2STIM1ORAI1
SCHEMBL21786432 0.80
SCHEMBL22790743 0.79 FYN (0.38) STIM1ORAI1

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 4 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
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 GPBAR1 4304/4885DRD2 2925/4885CSNK1D 1715/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 GPBAR1 4304/4885DRD2 2925/4885CSNK1D 1715/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 GPBAR1 4304/4885DRD2 2925/4885CSNK1D 1715/4885

“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.