SCHEMBL2958982

SCHEMBL2958982

O=C(NCCCl)Nc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.62
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
TAAR1 Q96RJ0 2/20 0.55
NAMPT P43490 4/20 0.54
HTT P42858 1/20 0.53
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
RAB9A P51151 1/20 0.51
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
POLB P06746 1/20 0.49
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL31300137 0.90 ROCK2 (0.66) MDM2KDM4EMEN1KMT2AKEAP1
SCHEMBL12989329 0.82 KMT2A (0.64) MDM2KDM4EMEN1KMT2AKEAP1
SCHEMBL2236638 0.81 EPHX1 (0.62) KDM4EMEN1KMT2AHTTRAB9A
SCHEMBL18436112 0.81 MDM2 (0.60) MDM2KDM4EMEN1KMT2AKEAP1
SCHEMBL9868290 0.81 BCHE (0.62) MDM2KDM4EMEN1KMT2AKEAP1
SCHEMBL3787099 0.80 CDK2 (0.75) KDM4EMEN1KMT2AKEAP1NFE2L2
SCHEMBL10939812 0.80 CNR1 (0.70) KDM4ERAB9A
SCHEMBL6690096 0.80 MAOA (0.53) MEN1KMT2ARAB9A
SCHEMBL11310806 0.79 NAMPT (0.65) MDM2KDM4EMEN1KMT2AKEAP1
SCHEMBL9600748 0.79 SMARCA2 (0.63) KDM4EMEN1KMT2AHTTSMARCA2

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 27 patents — showing the first 20. 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-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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7501445-B2 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-03-10 US disclosed
US-7501445-B2 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-03-10 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
CN-1288148-C 1,2,3,4-tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-12-06 CN disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
US-4329348-A ANTIDEPRESSANTS AND PSYCHOSTIMULANTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US disclosed
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-4075335-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 US 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 (4 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 MDM2 629/4885KDM4E 3627/4885MEN1 203/4885
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 MDM2 4244/4885KDM4E 2339/4885MEN1 396/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 MDM2 4556/4885KDM4E 4223/4885MEN1 946/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MDM2 629/4885KDM4E 3627/4885MEN1 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.