SCHEMBL2961058

SCHEMBL2961058

CC(=O)c1cccnc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.49
ELANE P08246 5/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
NAPRT Q6XQN6 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1663588 0.83 KDM4E (0.57) PLCG1ELANEKDM4EALDH1A1TDP1
SCHEMBL8833113 0.83 KDM4E (0.42) PLCG1KDM4EALDH1A1TDP1MAPT
SCHEMBL10402120 0.81 KDM4E (0.55) PLCG1ELANEKDM4EALDH1A1TDP1
SCHEMBL15176127 0.81 PLCG1 (0.42) PLCG1ELANEKDM4EALDH1A1TDP1
SCHEMBL2718276 0.81 PARP1 (0.56) PLCG1KDM4EALDH1A1TDP1MAPT
SCHEMBL9596105 0.81 PARP1 (0.56) PLCG1KDM4EALDH1A1TDP1MAPT
SCHEMBL10632437 0.81 PLCG1 (0.45) PLCG1ELANEKDM4EALDH1A1TDP1
SCHEMBL3465036 0.81 PLCG1 (0.56) PLCG1KDM4EALDH1A1TDP1TSHR
Potassium Ion SCHEMBL10402119 0.80 PLCG1 (0.44) PLCG1ELANEKDM4EALDH1A1TDP1
SCHEMBL2800784 0.77 TSHR (0.54) PLCG1ELANEKDM4EALDH1A1TSHR

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 PLCG1 4831/4885ELANE 2670/4885KDM4E 3627/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 PLCG1 4831/4885ELANE 2670/4885KDM4E 3627/4885

“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.