SCHEMBL1990774

SCHEMBL1990774

Cn1cc(-c2ccc3c(c2)C2(CCO3)CCSC(N)=N2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
BACE1 P56817 10/20 0.41
CTSD P07339 1/20 0.41
APP P05067 5/20 0.40
PIK3CD O00329 4/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PDK2 Q15119 1/20 0.38
FYN P06241 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL15236297 0.85 KDM1A (0.40) KDM1ABACE1APPPIK3CDPIK3CA
SCHEMBL1996985 0.81 BACE1 (0.56) BACE1CTSDAPP
SCHEMBL1993405 0.80 BACE1 (0.54) BACE1CTSDAPP
SCHEMBL12565340 0.77 BACE1 (0.48) BACE1CTSDAPPBACE2
SCHEMBL7940159 0.77 BACE1 (0.34) BACE1CTSDAPPBACE2
SCHEMBL1992787 0.77 BACE1 (0.48) BACE1
SCHEMBL14146971 0.76 PIK3CD (0.40) KDM1ABACE1CTSDPIK3CDPIK3CA
SCHEMBL1991931 0.74 BACE1 (0.53) BACE1CTSD
SCHEMBL1996400 0.74 BACE1 (0.42) BACE1CTSDAPP
SCHEMBL1992797 0.73 BACE1 (0.38) BACE1CTSDPIK3CDPIK3CAPIK3CB

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
EP-2318416-B1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 US disclosed
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 US disclosed
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 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 (1 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-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP KDM1A 3974/4885BACE1 1/4885CTSD 531/4885

“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.