SCHEMBL6934738

SCHEMBL6934738

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
LPL P06858 8/20 0.37
LIPG Q9Y5X9 8/20 0.37
ALPL P05186 1/20 0.36
DGAT1 O75907 2/20 0.36
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
FFAR1 O14842 1/20 0.34
ROCK1 Q13464 1/20 0.34
EGFR P00533 1/20 0.32

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
SCHEMBL26011862 0.87 AAK1 (0.45) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL251502 0.85 ALPL (0.45) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL20191051 0.85 AAK1 (0.53) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL613434 0.84 AAK1 (0.46) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL26013257 0.84 AAK1 (0.50) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL26464702 0.83 AAK1 (0.55) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL26464168 0.82 AAK1 (0.51) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL462679 0.82 AAK1 (0.47) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL27314904 0.82 AAK1 (0.45) AAK1GSK3AGSK3BLPLLIPG
SCHEMBL30864874 0.82 AAK1 (0.45) AAK1GSK3AGSK3BLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767325-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2023-09-26 US disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
US-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV 2012-12-27 US disclosed
WO-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 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-20120329792-A1 IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES PDE12, PDE10A, PDE5A AAK1 957/4885GSK3A 1357/4885GSK3B 1651/4885
US-11767325-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators SCN1A, SCN2A, SCN5A AAK1 1453/4885GSK3A 2812/4885GSK3B 2835/4885

“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.