SCHEMBL2954296

SCHEMBL2954296

CSc1cccc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.39
CTSK P43235 1/20 0.38
CTSS P25774 1/20 0.37
ALDH1A1 P00352 4/20 0.36
IDH1 O75874 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
NQO1 P15559 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL30468476 1.00 SOS2 (0.39) SOS2CTSKCTSSALDH1A1IDH1
SCHEMBL26796099 0.81 SOS2 (0.40) SOS2CTSKCTSSALDH1A1IDH1
SCHEMBL1383009 0.79 GRM5 (0.32) ALDH1A1KDM4EHPGDMEN1NPC1
SCHEMBL2953350 0.79 SQOR (0.41) SOS2CTSKCTSSALDH1A1KDM4E
SCHEMBL2960932 0.79 CTSK (0.38) SOS2CTSKCTSSIDH1NQO1
SCHEMBL2952857 0.79 IDH1 (0.38) SOS2CTSKCTSSALDH1A1IDH1
SCHEMBL995983 0.77 SOS2 (0.50) SOS2CTSKCTSSALDH1A1IDH1
SCHEMBL8779829 0.77 CCR1 (0.39) ALDH1A1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL14152637 0.76 CNR2 (0.40) SOS2CTSKCTSSALDH1A1IDH1
SCHEMBL6604483 0.76 SOS2 (0.38) SOS2CTSKCTSSGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN 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-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
EP-2003116-A9 PROCESS FOR THE PRODUCTION OF ORGANIC OXIDES Takeda Pharmaceutical Company Limited (JP) 2009-05-20 EP 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-20090054655-A1 Process for the Production of Organic Oxides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
EP-2003116-A2 PROCESS FOR THE PRODUCTION OF ORGANIC OXIDES Takeda Pharmaceutical Company Limited (JP) 2008-12-17 EP 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 (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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 SOS2 4166/4885CTSK 2868/4885CTSS 3122/4885
US-20090054655-A1 Process for the Production of Organic Oxides OXSR1, CBR3, CYB5R3 SOS2 1517/4885CTSK 4576/4885CTSS 4225/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 SOS2 4166/4885CTSK 2868/4885CTSS 3122/4885

“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.