SCHEMBL2962405

SCHEMBL2962405

Cc1csc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2A6 P11509 1/20 0.45
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
GCK P35557 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
IL18 Q14116 1/20 0.39
GAA P10253 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL920825 0.82 AR (0.47) ARSLC6A4
SCHEMBL4730671 0.77 ALDH1A1 (0.57) ALDH1A1PARP10MEN1POLBMAPT
SCHEMBL459019 0.75 ALDH1A1 (0.73) ARALDH1A1CYP2A6PARP15PARP10
SCHEMBL921658 0.74 ALDH1A1 (0.59) ARALDH1A1CYP2A6PARP15PARP10
SCHEMBL8544256 0.74 ALDH1A1 (0.53) ARALDH1A1CYP2A6PARP15PARP10
SCHEMBL9473089 0.72 ST14 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL9502056 0.72 TTR (0.37) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL920207 0.72 ST14 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL9264476 0.72 ALDH1A1 (0.46) ALDH1A1CYP2A6PARP10LMNAKDM4E
SCHEMBL7041250 0.72 PARP15 (0.63) ARALDH1A1CYP2A6PARP15PARP10

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 AR 1244/4885ALDH1A1 273/4885CYP2A6 1808/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 AR 1244/4885ALDH1A1 273/4885CYP2A6 1808/4885

“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.