SCHEMBL15627225

SCHEMBL15627225

C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC#C[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.46
▸ CYP2D6 P10635 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSS P25774 5/20 0.39
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL15629776 0.85 CTSK (0.61) CTSKCYP2D6CA1CA2CA7
SCHEMBL24178454 0.84 CTSK (0.46) CTSKCYP2D6CA1CA2CA7
SCHEMBL15627223 0.79 CYP2D6 (0.48) CTSKCYP2D6CA1CA2CA7
SCHEMBL28631346 0.79 CYP2D6 (0.48) CTSKCYP2D6CA1CA2CA7
SCHEMBL17282840 0.79 CYP2D6 (0.48) CTSKCYP2D6CA1CA2CA7
SCHEMBL6381798 0.79 CTSK (0.52) CTSKCYP2D6CA1CA2CA7
SCHEMBL23059044 0.78 CTSK (0.43) CTSKCYP2D6CA1CA2CA7
SCHEMBL13538162 0.75 CYP2D6 (0.53) CTSKCYP2D6CA1CA2CA7
SCHEMBL31606449 0.75 CYP2D6 (0.53) CTSKCYP2D6CA1CA2CA7
SCHEMBL3380313 0.75 CYP2D6 (0.53) CTSKCYP2D6CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 — — US disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 — — US disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 — — EP disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 — — US disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 — — US disclosed
US-9193726-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2015-11-24 — — US disclosed
US-9193726-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2015-11-24 — — US disclosed
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2015-03-12 — — US disclosed
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2015-03-12 — — US disclosed
US-8916564-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2014-12-23 — — US disclosed
US-8916564-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2014-12-23 — — US disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 — — US disclosed
WO-2014045156-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2014-03-27 — — WO disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 — — 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 (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-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 CTSK 3178/4885CYP2D6 146/4885CA1 3654/4885
US-20140088111-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2D6, CYP2C19 CTSK 2751/4885CYP2D6 2/4885CA1 4522/4885
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 CTSK 3178/4885CYP2D6 146/4885CA1 3654/4885

“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.

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