Sugi Predict

Sugi Predict / Compounds / SCHEMBL71885

SCHEMBL71885

SCHEMBL71885

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccnc3)c[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ GRIA2 P42262 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35

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
SCHEMBL90997 0.89 NPY5R (0.35) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL90906 0.84 HSD11B1 (0.39) ROCK2CDC7DAPK3MAP4K4PAK4
SCHEMBL91029 0.83 GRIA2 (0.35) GRIA2NPY5RROCK2CDC7DAPK3
SCHEMBL91031 0.82 KDM1A (0.49) GRIA2NPY5RCSNK1A1KDM1AMAOA
SCHEMBL90975 0.82 PLK1 (0.40) CYP1A2HPGDSMAPK1GSK3BCDK9
SCHEMBL69642 0.82 NPY5R (0.39) GRIA2NPY5RKDM1AMAOAMAOB
SCHEMBL90986 0.82 LRRK2 (0.38) KDM1ACTPS1
SCHEMBL90867 0.81 RIPK2 (0.37) CYP1A2MAPK1NPY5RGSK3BDYRK1A
SCHEMBL90866 0.81 ABL1 (0.36) GRIA2NPY5RROCK2CDC7DAPK3
SCHEMBL8527347 0.80 WDR5 (0.37) ROCK2MAP4K4GSK3BALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 — — US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 — — US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 — — US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 — — US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 — — 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 (2 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PIK3CD 3763/4885PIK3CA 3614/4885PIK3CB 3928/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PIK3CD 3763/4885PIK3CA 3614/4885PIK3CB 3928/4885

“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.