Sugi Predict

Sugi Predict / Compounds / SCHEMBL1173233

SCHEMBL1173233

SCHEMBL1173233

C[C@@](N)(CO)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.37
▸ C1S P09871 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ AGXT P21549 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RIPK1 Q13546 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
SCHEMBL875111 1.00 CA1 (0.43) CA1CA2CA5ACA9KIF11
SCHEMBL245881 1.00 CA1 (0.43) CA1CA2CA5ACA9KIF11
Hydrochloric Acid SCHEMBL17764391 0.98 CA1 (0.42) CA1CA2CA5ACA9KIF11
Hydrochloric Acid SCHEMBL17764387 0.98 CA1 (0.42) CA1CA2CA5ACA9KIF11
SCHEMBL1420802 0.87 CA1 (0.40) CA1CA2CA5ACA9KIF11
SCHEMBL1420807 0.87 CA1 (0.40) CA1CA2CA5ACA9KIF11
SCHEMBL1863251 0.82 CNR1 (0.41) CA1CA2CA5ACA9KIF11
SCHEMBL361189 0.82 CA1 (0.44) CA1CA2CA5ACA9KIF11
SCHEMBL3648303 0.82 CA1 (0.41) CA1CA2CA5ACA9KIF11
SCHEMBL1421063 0.81 CA1 (0.38) CA1CA2CA5ACA9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 — — EP disclosed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 — — EP disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 — — US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 — — US disclosed
EP-3083644-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. Hoffmann-La Roche AG (CH) 2016-10-26 — — EP disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 — — US disclosed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 — — US disclosed
WO-2015091595-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 — — WO disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 — — US disclosed
EP-2855469-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP disclosed
EP-2665713-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 — — EP disclosed
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 — — US disclosed
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 — — US disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — WO disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — US disclosed
WO-2012098064-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 — — US disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 — — 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 (7 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 CA1 2218/4885CA2 3965/4885CA5A 1513/4885
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 CA1 277/4885CA2 525/4885CA5A 1032/4885
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP CA1 410/4885CA2 478/4885CA5A 303/4885
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 CA1 352/4885CA2 595/4885CA5A 1039/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP CA1 452/4885CA2 376/4885CA5A 253/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP CA1 452/4885CA2 376/4885CA5A 253/4885
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 CA1 676/4885CA2 1670/4885CA5A 372/4885

“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.