SCHEMBL2958768

SCHEMBL2958768

Cc1cc(C=CN(C)C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
HTT P42858 1/20 0.30
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2707203 1.00 UHRF1 (0.43) UHRF1DYRK1AMEN1NPC1MAPT
SCHEMBL17085656 1.00 UHRF1 (0.43) UHRF1DYRK1AMEN1NPC1MAPT
SCHEMBL5256862 0.79 KDM1A (0.47) MEN1NPC1MAPTALOX15CASP1
SCHEMBL5256859 0.79 KDM1A (0.47) MEN1NPC1MAPTALOX15CASP1
SCHEMBL9798174 0.78 UHRF1 (0.48) UHRF1DYRK1AMEN1MAPTKMT2A
SCHEMBL14153950 0.78 UHRF1 (0.48) UHRF1DYRK1AMEN1MAPTKMT2A
SCHEMBL9798181 0.78 UHRF1 (0.48) UHRF1DYRK1AMEN1MAPTKMT2A
SCHEMBL6630611 0.77
SCHEMBL27790862 0.77 MAPT (0.62) MEN1NPC1MAPTALOX15CASP1
SCHEMBL27898404 0.77 MAPT (0.62) MEN1NPC1MAPTALOX15CASP1

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 10 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-7459563-B2 Process for the preparation of isonicotinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
EP-1812392-B1 PROCESS FOR PREPARATION OF ISONICOTINIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
EP-1812392-A1 PROCESS FOR PREPARATION OF ISONICOTINIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-08-01 EP disclosed
US-20060100440-A1 Process for the preparation of isonicotinic acid derivatives HOFFMANN-LA ROCHE INC. 2006-05-11 US disclosed
WO-2006048172-A1 PROCESS FOR PREPARATION OF ISONICOTINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO 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 UHRF1 2502/4885DYRK1A 3656/4885MEN1 203/4885
US-20060100440-A1 Process for the preparation of isonicotinic acid derivatives ADORA2A, ADORA2B, ADORA1 UHRF1 2908/4885DYRK1A 3669/4885MEN1 3920/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 UHRF1 2502/4885DYRK1A 3656/4885MEN1 203/4885

“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.