Sugi Predict

Sugi Predict / Compounds / SCHEMBL1531272

SCHEMBL1531272

SCHEMBL1531272

COc1cc(N)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.50
▸ CA1 P00915 5/20 0.50
▸ CA2 P00918 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ATM Q13315 2/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ IDO1 P14902 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ PDK2 Q15119 1/20 0.42
▸ SCN9A Q15858 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
SCHEMBL7449161 0.95 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL1667842 0.93 BCHE (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL3020849 0.91 CA12 (0.51) CA12CA1CA2CA9ATM
SCHEMBL1667818 0.88 BCHE (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL21609701 0.87 CA12 (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL21609702 0.87 CA12 (0.52) CA12CA1CA2CA9ATM
SCHEMBL21601225 0.85 AXL (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL21601499 0.85 IDO1 (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL4007583 0.85 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL1531347 0.85 KDM4E (0.49) KDM4EGAAMAPTMTNR1AMTNR1B

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 30 patents — showing the first 20. 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-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 — — US disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 — — EP disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — 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
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 — — US disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 — — US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 — — EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — 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 (5 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-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 CA12 4763/4885CA1 4384/4885CA2 3671/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK CA12 4881/4885CA1 4866/4885CA2 3976/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB CA12 4882/4885CA1 4823/4885CA2 4510/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R CA12 3573/4885CA1 3674/4885CA2 3311/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R CA12 4294/4885CA1 4394/4885CA2 4230/4885

“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.