SCHEMBL2964048

SCHEMBL2964048

CSc1nccc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
ACACB O00763 1/20 0.39
CTSK P43235 4/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5212760 0.83 ACACB (0.50) KDM4EMAPK1NPSR1L3MBTL1MAPK9
SCHEMBL3805723 0.80 MAPK14 (0.45) KDM4EMAPK1NPSR1L3MBTL1MAPK9
SCHEMBL28496709 0.80 ACACB (0.42) KDM4EMAPK1NPSR1L3MBTL1MAPK9
SCHEMBL5211607 0.76 ACACB (0.42) KDM4EMAPK1NPSR1L3MBTL1MAPK9
SCHEMBL28040766 0.73 HTT (0.42) KDM4EMAPK1CTSKKMT2AALDH1A1
SCHEMBL1186629 0.72
SCHEMBL5799133 0.72 ACACB (0.51) MAPK1NPSR1ACACBALDH1A1NPC1
SCHEMBL18229 0.72 CTSK (0.35) KDM4ENPSR1CTSKGAAKMT2A
SCHEMBL3905049 0.72 MAPK14 (0.40) MAPK9MAPK10ACACBLMNAGAA
SCHEMBL5432856 0.72 ACACB (0.48) MAPK9MAPK10ACACBLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 US disclosed
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 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-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US disclosed
US-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US disclosed
US-20080125427-A1 Novel Inhibitors of Rho-Kinases SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 US disclosed
EP-1756092-A1 NOVEL INHIBITORS OF RHO-KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-28 EP disclosed
WO-2006009889-A1 NOVEL INHIBITORS OF RHO-KINASES SMITHKLINE BEECHAM CORPORATION (US) 2006-01-26 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 (6 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-20080125427-A1 Novel Inhibitors of Rho-Kinases ROCK1, ARHGDIB, ARHGDIA KDM4E 2240/4885MAPK1 286/4885NPSR1 4258/4885
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 KDM4E 3627/4885MAPK1 507/4885NPSR1 1631/4885
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885MAPK1 2996/4885NPSR1 100/4885
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 KDM4E 948/4885MAPK1 15/4885NPSR1 2748/4885
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885MAPK1 2996/4885NPSR1 100/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 KDM4E 3627/4885MAPK1 507/4885NPSR1 1631/4885

“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.