SCHEMBL2959648

SCHEMBL2959648

N#Cc1cc(C2CCCN2C(=O)c2ccccc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 8/20 0.48
▸ PARP14 Q460N5 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ SCD O00767 7/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ ROCK2 O75116 4/20 0.44

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
SCHEMBL2961636 0.87 SCD5 (0.42) SCD5SCDHSP90AA1HSP90AB1ROCK2
SCHEMBL2963151 0.83 GCK (0.42) SCD5SCDROCK2
SCHEMBL16565652 0.79 SCD (0.60) SCD5PARP14PARP10SCDHSP90AA1
SCHEMBL8538915 0.74 HSP90AA1 (0.63) SCD5PARP14PARP10SCDHSP90AA1
SCHEMBL8596155 0.73 PARP14 (0.62) SCD5PARP14PARP10SCDKDM4E
SCHEMBL8542566 0.73 ROCK2 (0.62) SCD5PARP14PARP10SCDKDM4E
SCHEMBL30042647 0.73 GPR119 (0.47) —
SCHEMBL2962281 0.72 MIF (0.47) SCD5SCDALDH1A1ROCK2
SCHEMBL8588539 0.72 HSP90AA1 (0.50) SCD5PARP14PARP10SCDHSP90AA1
SCHEMBL165005 0.71 SCD (0.55) SCD5PARP14PARP10SCDKDM4E

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 5 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-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 SCD5 4659/4885PARP14 3034/4885PARP10 1603/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 SCD5 4659/4885PARP14 3034/4885PARP10 1603/4885

“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.

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