SCHEMBL17076589

SCHEMBL17076589

Nc1nccc2nc(OCC(F)(F)F)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
NUDT1 P36639 1/20 0.36
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP4K4 O95819 1/20 0.33
ADORA2A P29274 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL16428486 0.82 L3MBTL1 (0.36) L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL16466090 0.80 TLR8 (0.36) NUDT1MAPTALDH1A1MEN1KMT2A
SCHEMBL17496925 0.77 MAOB (0.36) MEN1KMT2AHSD17B10POLBMAPK1
SCHEMBL15991798 0.76 BACE1 (0.39) MAP4K4BACE1BACE2NOS3NOS2
SCHEMBL16462860 0.76 MAP4K4 (0.43) MAP4K4ADORA2ABACE1NOS3NOS2
SCHEMBL16465803 0.76 NUDT1 (0.41) L3MBTL1NUDT1MAPTALDH1A1MEN1
SCHEMBL16432352 0.75 EP300 (0.44)
SCHEMBL17497135 0.71 NUDT1 (0.34) NUDT1
SCHEMBL7935551 0.70 ALDH1A1 (0.38) L3MBTL1NUDT1MAPTALDH1A1MEN1
SCHEMBL28152626 0.70 MAPT (0.38) L3MBTL1NUDT1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 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-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP L3MBTL1 3009/4885NUDT1 2241/4885MAPT 257/4885

“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.