SCHEMBL2960607

SCHEMBL2960607

CN(C(=O)O)c1cccc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
USP30 Q70CQ3 3/20 0.38
SOS2 Q07890 1/20 0.37
AHR P35869 1/20 0.36
ACACB O00763 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
SRC P12931 1/20 0.33
CES1 P23141 1/20 0.33
MGLL Q99685 1/20 0.33
POLB P06746 1/20 0.33
GRM5 P41594 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL2956254 0.81 HCRTR1 (0.39) HCRTR1HCRTR2USP30SOS2AHR
SCHEMBL5534329 0.80 MGLL (0.39) HCRTR1HCRTR2SOS2AHRACACB
SCHEMBL16535487 0.80 HCRTR1 (0.37) HCRTR1HCRTR2SOS2AHRSRC
SCHEMBL2956932 0.79 PAX8 (0.39) HCRTR1HCRTR2USP30SOS2AHR
SCHEMBL29907550 0.78 HSD11B1 (0.41) HCRTR1HCRTR2SOS2ACACBJAK2
SCHEMBL21730190 0.78 HSD11B1 (0.41) HCRTR1HCRTR2SOS2ACACBJAK2
SCHEMBL3081409 0.76 HCRTR1 (0.38) HCRTR1HCRTR2SOS2AHRACACB
SCHEMBL26733826 0.75 HCRTR1 (0.37) HCRTR1HCRTR2SOS2AHRJAK2
SCHEMBL15174120 0.75 RAB9A (0.43) GRM5
SCHEMBL13217173 0.75 HCRTR1 (0.37) HCRTR1HCRTR2SOS2AHRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 HCRTR1 3079/4885HCRTR2 3869/4885USP30 3376/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 HCRTR1 3079/4885HCRTR2 3869/4885USP30 3376/4885

“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.