Sugi Predict

Sugi Predict / Compounds / SCHEMBL4059943

SCHEMBL4059943

SCHEMBL4059943

Cc1noc2nc(C(NCCCNC(=O)OC(C)(C)C)C(C)C)n(Cc3cccc(F)c3)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ SLC26A6 Q9BXS9 1/20 0.39
▸ KIF11 P52732 2/20 0.38
▸ EEF2K O00418 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL4042343 0.91 KIF11 (0.38) LMNASLC26A6KIF11POLBBRD4
SCHEMBL3871312 0.91 KIF11 (0.46) TSHRSLC26A6KIF11BRD4ALDH1A1
SCHEMBL4065655 0.90 KIF11 (0.43) TSHRLMNASLC26A6KIF11POLB
SCHEMBL4061532 0.86 KIF11 (0.41) TSHRLMNAPPARGNCOA2NCOA1
SCHEMBL5233038 0.84 SLC26A6 (0.39) TSHRLMNAPPARGNCOA2NCOA1
SCHEMBL3869131 0.83 KIF11 (0.52) KIF11
SCHEMBL5233031 0.82 SLC26A6 (0.38) TSHRLMNAPPARGNCOA2NCOA1
SCHEMBL3901568 0.81 KIF11 (0.49) SLC26A6KIF11BRD4MAPTSMN1; SMN2
SCHEMBL13956802 0.78 KIF11 (0.46) KIF11BRD4ALDH1A1MAPTNPSR1
SCHEMBL4044893 0.77 KIF11 (0.42) KIF11POLBBRD4ALDH1A1GNRHR

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
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 — — EP disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 — — US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 — — US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 — — 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 (4 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-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof SDHA, CYP11B2, NQO1 TSHR 4353/4885LMNA 1415/4885PPARG 854/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 TSHR 732/4885LMNA 3104/4885PPARG 2457/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 TSHR 732/4885LMNA 3104/4885PPARG 2457/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 TSHR 4353/4885LMNA 1415/4885PPARG 854/4885

“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.