Sugi Predict

Sugi Predict / Compounds / SCHEMBL799510

SCHEMBL799510

SCHEMBL799510

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2nc(N3CCOCC3)c3ncn(CC4CC4)c3n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.52
▸ HDAC1 Q13547 13/20 0.48
▸ PIK3CA P42336 11/20 0.48
▸ PIK3R1 P27986 7/20 0.48
▸ PIK3CG P48736 6/20 0.48
▸ PIK3CD O00329 4/20 0.48
▸ PIK3CB P42338 4/20 0.48
▸ HDAC3 O15379 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL1114353 0.94 MTOR (0.48) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL799241 0.94 MTOR (0.49) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL799279 0.94 MTOR (0.52) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL799244 0.91 MTOR (0.47) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL1114151 0.91 MTOR (0.47) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL799551 0.89 MTOR (0.51) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL1114005 0.89 MTOR (0.51) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL14960380 0.89 MTOR (0.55) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL799437 0.88 MTOR (0.51) MTORHDAC1PIK3CAPIK3R1PIK3CG
SCHEMBL336946 0.88 MTOR (0.49) MTORHDAC1PIK3CAPIK3R1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 — — US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 — — US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 — — US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 — — US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 — — US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 — — US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 — — US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 — — 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 MTOR 1/4885HDAC1 385/4885PIK3CA 22/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 MTOR 1/4885HDAC1 385/4885PIK3CA 22/4885

“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.