Sugi Predict

Sugi Predict / Compounds / SCHEMBL654580

SCHEMBL654580

SCHEMBL654580

CCOC(=O)C1=C(N[C@@H](C)c2ccccc2)CN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.43
▸ ALOX5 P09917 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ NPY2R P49146 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL929117 1.00 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL929119 1.00 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL1219800 0.92 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL1219803 0.92 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL21047249 0.92 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL3215767 0.91 ALOX5 (0.43) ALOX5ATMMEN1KMT2ATSHR
SCHEMBL15866027 0.91 ALOX5 (0.43) ALOX5ATMMEN1KMT2ATSHR
SCHEMBL28637734 0.88 ALOX5 (0.45) ALOX5MEN1KMT2ATSHRNPY2R
SCHEMBL28637732 0.88 ALOX5 (0.45) ALOX5MEN1KMT2ATSHRNPY2R
SCHEMBL16789937 0.85 ATM (0.45) ATMMEN1KMT2ATSHRALOX15

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417389-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-12-19 — — US disclosed
US-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. (US) 2023-06-08 — — US disclosed
US-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. (US) 2023-06-08 — — US disclosed
CN-109305959-B Pyrimidinyl tyrosine kinase inhibitors 比奥根MA公司 2022-02-08 — — CN disclosed
CN-113549055-A Pyrimidinyl tyrosine kinase inhibitors 比奥根MA公司 2021-10-26 — — CN disclosed
US-20210017155-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-20210017155-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-01-21 — — US disclosed
EP-3753934-A1 PYRIMIDINYL DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2020-12-23 — — EP disclosed
EP-3385263-B1 PYRIMIDINYL TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2020-07-22 — — EP disclosed
EP-3385263-B1 PYRIMIDINYL TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2020-07-22 — — EP disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 — — US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 — — US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 — — EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 — — EP disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 — — US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 — — US disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 — — US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 — — US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 — — US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 — — 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 (7 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-20210017155-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 ADORA1 4500/4885ALOX5 4234/4885ATM 514/4885
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 ADORA1 542/4885ALOX5 1865/4885ATM 3582/4885
US-20240417389-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 ADORA1 4500/4885ALOX5 4234/4885ATM 514/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 ADORA1 542/4885ALOX5 1865/4885ATM 3582/4885
US-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 ADORA1 4488/4885ALOX5 4284/4885ATM 494/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 ADORA1 542/4885ALOX5 1865/4885ATM 3582/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 ADORA1 371/4885ALOX5 2171/4885ATM 3692/4885

“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.