Sugi Predict

Sugi Predict / Compounds / SCHEMBL1668066

SCHEMBL1668066

SCHEMBL1668066

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C#N)c1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.44
▸ PDE4B Q07343 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ TBK1 Q9UHD2 2/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38

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
SCHEMBL23121835 0.91 PDE4B (0.48) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL1668409 0.88 KMT2A (0.34) PDE4BPDE4APDE4CPDE4DTBK1
SCHEMBL1668076 0.85 TBK1 (0.49) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL532111 0.82 PDE4B (0.59) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL12448341 0.81 GPR119 (0.50) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL1667718 0.81 GPR119 (0.50) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL23122048 0.81 USP30 (0.47) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL17630883 0.80 GPR119 (0.56) GPR119USP30ALK
SCHEMBL17289843 0.80 TBK1 (0.51) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL17289635 0.80 TBK1 (0.51) GPR119PDE4BPDE4APDE4CPDE4D

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 — — US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 — — US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 — — US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — US disclosed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 — — EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 — — 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 (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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK GPR119 2215/4885PDE4B 1452/4885PDE4A 1162/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB GPR119 1963/4885PDE4B 1734/4885PDE4A 1625/4885

“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.