SCHEMBL4179744

SCHEMBL4179744

N#Cc1cn2cc(C(=O)O)ncc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 4/20 0.33
P4HA1 P13674 1/20 0.33
MIF P14174 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PIN1 Q13526 1/20 0.31
GNE Q9Y223 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 1/20 0.30

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
SCHEMBL31757440 0.76 FFAR1 (0.38) PTGS2KDM4EP4HTMTDP1ALDH1A1
SCHEMBL25418147 0.76 KDM4E (0.44) PTGS1PTGS2KDM4EP4HA1MIF
SCHEMBL7941806 0.75 KCNH2 (0.34)
SCHEMBL21664098 0.73
SCHEMBL21643076 0.73 CYP1A2 (0.35) PTGS1
SCHEMBL21643077 0.73 CYP1A2 (0.35) PTGS1
SCHEMBL21663752 0.71 ALDH1A3 (0.49) KDM4ETSHRALDH1A1RXFP1
SCHEMBL21033174 0.71 ALDH1A3 (0.49) PTGS1PTGS2KDM4EALDH1A1
SCHEMBL21033324 0.70 PTGS1 (0.49) PTGS1PTGS2KDM4EALOX15TSHR
SCHEMBL12778122 0.70 EGLN2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US 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 (4 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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 PTGS1 3024/4885PTGS2 2853/4885KDM4E 3353/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 PTGS1 3275/4885PTGS2 3783/4885KDM4E 2783/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 PTGS1 2862/4885PTGS2 2680/4885KDM4E 3338/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 PTGS1 3024/4885PTGS2 2853/4885KDM4E 3353/4885

“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.