SCHEMBL10156987

SCHEMBL10156987

CC1(c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CCSC(N)=N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
BACE1 P56817 13/20 0.52
PARP1 P09874 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
RAB9A P51151 1/20 0.45

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
SCHEMBL10155537 0.92 BACE1 (0.54) MAPK1LMNATSHRBACE1
SCHEMBL10156623 0.91 MAPT (0.50) SMN1; SMN2KDM4EHTTBACE1
SCHEMBL10157967 0.89 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2KDM4ELMNATSHR
SCHEMBL10154990 0.86 SMN1; SMN2 (0.57) MAPK1SMN1; SMN2KDM4ELMNATSHR
SCHEMBL10156212 0.85 BACE1 (0.59) MAPK1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL10154943 0.85 BACE1 (0.55) BACE1
SCHEMBL10155517 0.85 BACE1 (0.56) BACE1
SCHEMBL10155185 0.85 KDM4E (0.57) SMN1; SMN2KDM4ELMNABACE1
SCHEMBL10154575 0.84 BACE1 (0.56) BACE1
SCHEMBL10156713 0.84 BACE1 (0.56) BACE1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
EP-1942105-B1 AMINODIHYDROTHIAZINE DERIVATIVE SHIONOGI & CO (JP) 2014-04-16 EP disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-8173642-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2012-05-08 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 US disclosed
EP-1942105-A1 AMINODIHYDROTHIAZINE DERIVATIVE Shionogi Co., Ltd. (JP) 2008-07-09 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 (6 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-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP MAPK1 863/4885SMN1; SMN2 2228/4885KDM4E 2994/4885
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 MAPK1 3484/4885SMN1; SMN2 1376/4885KDM4E 3526/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 MAPK1 3444/4885SMN1; SMN2 1359/4885KDM4E 3538/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP MAPK1 863/4885SMN1; SMN2 2228/4885KDM4E 2994/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP MAPK1 863/4885SMN1; SMN2 2228/4885KDM4E 2994/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP MAPK1 863/4885SMN1; SMN2 2228/4885KDM4E 2994/4885

“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.