SCHEMBL932928

SCHEMBL932928

Brc1cccc(C2=CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
PIK3CA P42336 3/20 0.45
FABP7 O15540 1/20 0.43
MAPK14 Q16539 6/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
HTR1D P28221 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CSNK1E P49674 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL4772120 0.80 HTR2C (0.46) PIK3CDPIK3CAMAPK14HTR1DCSNK1E
SCHEMBL30072245 0.79 FABP7 (0.45) PIK3CDPIK3CAFABP7MAPK14HTR1D
SCHEMBL1570328 0.79 FABP7 (0.45) PIK3CDPIK3CAFABP7MAPK14HTR1D
SCHEMBL18857842 0.79 MAPK14 (0.47) PIK3CDPIK3CAFABP7MAPK14HTR1D
SCHEMBL3971131 0.77 CHRNB4 (0.46) CHRNB4CHRNA3NPC1RAB9ATP53
SCHEMBL3108988 0.76 CLK4 (0.42) PIK3CDPIK3CAFABP7MAPK14HTR1D
SCHEMBL15349891 0.76 PIK3CA (0.45) PIK3CDPIK3CAFABP7MAPK14CHRNB4
SCHEMBL29964798 0.76 FABP7 (0.43) PIK3CDPIK3CAFABP7MAPK14HTR1D
SCHEMBL26560458 0.75 HTR1D (0.43) PIK3CDPIK3CAFABP7MAPK14HTR1D
SCHEMBL3107969 0.74 FABP7 (0.53) PIK3CDPIK3CAFABP7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
CN-101910143-A Fused Aminodihydrothiazine Derivatives EISAI R&D MAN CO LTD 2010-12-08 CN disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO 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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 PIK3CD 4358/4885PIK3CA 4701/4885FABP7 2038/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 PIK3CD 4655/4885PIK3CA 4782/4885FABP7 2434/4885

“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.