SCHEMBL2963151

SCHEMBL2963151

CC(=O)N1CCCC1c1ccnc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 4/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ UCHL1 P09936 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ RIPK1 Q13546 2/20 0.39
▸ SCD5 Q86SK9 3/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ SCD O00767 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37

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 0.89 SCD5 (0.42) USP30UCHL1RIPK1SCD5ROCK2
SCHEMBL2959648 0.83 SCD5 (0.48) SCD5ROCK2SCD
SCHEMBL30042647 0.79 GPR119 (0.47) RIPK1
SCHEMBL1197375 0.77 HSD11B1 (0.51) CYP11B2RIPK1SCD5SCDHSD17B10
SCHEMBL18711354 0.72 SPR (0.48) CCNT1CDK9CYP11B2RIPK1SCD5
SCHEMBL18394381 0.71 PROKR1 (0.45) USP30RIPK1SCD5ROCK2SCD
SCHEMBL23705987 0.70 USP30 (0.44) USP30UCHL1SCD5SCD
SCHEMBL17454944 0.70 RIPK1 (0.69) RIPK1SCD5SCDHSD11B1HTT
SCHEMBL8275419 0.70 RIPK1 (0.69) RIPK1SCD5SCDHSD11B1HTT
SCHEMBL30350219 0.69 ALDH1A1 (0.62) —

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 GCK 3850/4885CCNT1 506/4885CDK9 4072/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 GCK 3850/4885CCNT1 506/4885CDK9 4072/4885

“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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