SCHEMBL4075699

SCHEMBL4075699

Cc1nc(-c2ccc(C(=O)Nc3ccc(F)c(C4(C)CCSC(N)=N4)c3)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.65
BACE2 Q9Y5Z0 6/20 0.61
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL4076210 0.93 BACE1 (0.64) BACE1BACE2
SCHEMBL4077492 0.87 BACE1 (0.73) BACE1BACE2
SCHEMBL4084949 0.87 BACE1 (0.65) BACE1BACE2
SCHEMBL4080317 0.86 BACE1 (0.67) BACE1BACE2
SCHEMBL4079800 0.86 BACE1 (0.70) BACE1BACE2
SCHEMBL4075775 0.86 BACE1 (0.62) BACE1BACE2
SCHEMBL4075650 0.84 BACE1 (0.71) BACE1BACE2
SCHEMBL10154628 0.84 BACE1 (0.80) BACE1BACE2
SCHEMBL16472016 0.84 BACE1 (0.71) BACE1BACE2
SCHEMBL4080336 0.84 BACE1 (0.64) BACE1BACE2

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 13 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-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-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 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-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-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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 (3 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 BACE1 6/4885BACE2 14/4885MEN1 1968/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885BACE2 14/4885MEN1 2162/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885BACE2 14/4885MEN1 1968/4885

“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.