Sugi Predict

Sugi Predict / Compounds / SCHEMBL967405

SCHEMBL967405

SCHEMBL967405

Cc1nc(-c2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.58
▸ HDAC6 Q9UBN7 5/20 0.48
▸ HDAC4 P56524 4/20 0.48
▸ DRD3 P35462 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TACR3 P29371 1/20 0.41

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
SCHEMBL966656 0.85 DRD3 (0.49) GPR119DRD3DRD2KCNH2TACR3
SCHEMBL102151 0.84 RAB9A (0.45) GPR119DRD3DRD2KCNH2TACR3
SCHEMBL916186 0.84 GPR119 (0.57) GPR119HDAC6HDAC4HDAC8JAK2
SCHEMBL916187 0.84 GPR119 (0.57) GPR119HDAC6HDAC4HDAC8JAK2
SCHEMBL193569 0.81 HDAC4 (0.49) GPR119HDAC6HDAC4
SCHEMBL102402 0.80 DRD3 (0.49) GPR119DRD3DRD2KCNH2TACR3
SCHEMBL916274 0.80 USP30 (0.46) GPR119
SCHEMBL15109719 0.80 USP30 (0.46) GPR119
SCHEMBL497161 0.79 USP2 (0.46) GPR119
SCHEMBL323889 0.79 USP2 (0.46) GPR119

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-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 — — US disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 — — US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 — — US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 — — US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 — — US disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 — — US disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 — — EP disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 — — 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-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 GPR119 1699/4885HDAC6 577/4885HDAC4 2218/4885
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, TTBK2 GPR119 2015/4885HDAC6 1115/4885HDAC4 3561/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 GPR119 1699/4885HDAC6 577/4885HDAC4 2218/4885

“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.