SCHEMBL2956715

SCHEMBL2956715

Cn1ccnc1Sc1cccc(C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
GCK P35557 2/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35

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
SCHEMBL8724916 0.85 GCK (0.45) GCKALDH1A1NPSR1KMT2AMEN1
Hydrochloric Acid SCHEMBL8723459 0.83 GCK (0.44) GCKALDH1A1NPSR1KMT2AMEN1
SCHEMBL13200038 0.74 GCK (0.38) GCKALDH1A1NPSR1KMT2AMEN1
SCHEMBL15381506 0.73 EHMT2 (0.45) L3MBTL1GAAGCKALDH1A1NPSR1
SCHEMBL2960826 0.73 MEN1 (0.40) GAAALDH1A1NPSR1KMT2AMEN1
SCHEMBL2960215 0.69 DDAH1 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL2954296 0.69 SOS2 (0.39) L3MBTL1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL30468476 0.69 SOS2 (0.39) L3MBTL1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL2953050 0.68 MAOA (0.46) L3MBTL1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL2963046 0.68 KDM4E (0.47) L3MBTL1ALDH1A1HPGDKDM4ETDP1

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 8 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-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-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-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 L3MBTL1 11/4885GAA 4503/4885GCK 3850/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 L3MBTL1 11/4885GAA 4503/4885GCK 3850/4885

“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.