Sugi Predict

Sugi Predict / Compounds / SCHEMBL4057634

SCHEMBL4057634

SCHEMBL4057634

Cc1nsc2nc(C(NCCNC(=O)OC(C)(C)C)C(C)C)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.51
▸ KIF23 Q02241 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GNRHR P30968 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL3863849 0.95 KIF11 (0.49) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4039832 0.89 KIF11 (0.48) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4044893 0.88 KIF11 (0.42) KIF11KIF23GAAGNRHRBRD4
SCHEMBL4061532 0.86 KIF11 (0.41) KIF11KIF23MAPTGNRHRBRD4
SCHEMBL3871323 0.84 KIF11 (0.49) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4063001 0.83 KIF11 (0.72) KIF11KIF23
SCHEMBL4063374 0.82 KIF11 (0.64) KIF11KIF23
SCHEMBL3872246 0.82 KIF11 (0.74) KIF11KIF23
SCHEMBL4059923 0.82 KIF11 (0.50) KIF11KIF23KDM4EGAAMAPT
SCHEMBL13956802 0.81 KIF11 (0.46) KIF11MAPTNPSR1GNRHRIDO1

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 7 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-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-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 KIF11 2056/4885KIF23 2014/4885KDM4E 2760/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 KIF11 1978/4885KIF23 2194/4885KDM4E 1170/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885KIF23 2194/4885KDM4E 1170/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 KIF11 2056/4885KIF23 2014/4885KDM4E 2760/4885

“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.