SCHEMBL2153402

SCHEMBL2153402

CN1CC(=S)NC(C)(c2cc(Br)ccc2F)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.39
BRD4 O60885 1/20 0.38
BACE2 Q9Y5Z0 4/20 0.37
CTSD P07339 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
AKR1B1 P15121 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2154191 0.87 MEN1 (0.43) BACE1BRD4BACE2CTSDMEN1
SCHEMBL7515323 0.77 KMT2A (0.43) BACE1BRD4CTSDMEN1KMT2A
SCHEMBL7558483 0.75 BACE1 (0.40) BACE1BACE2CTSDAKR1B1ALDH1A1
SCHEMBL2153420 0.72 BACE1 (0.41) BACE1BRD4BACE2CTSDMEN1
SCHEMBL2154201 0.72 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL15124744 0.72 BACE1 (0.32) BACE1BACE2CTSD
SCHEMBL15027982 0.70 BACE1 (0.36) BACE1BACE2CTSD
SCHEMBL1173343 0.70 AKR1B1 (0.50) BACE1BACE2CTSDAKR1B1
SCHEMBL1173345 0.70 AKR1B1 (0.50) BACE1BACE2CTSDAKR1B1
SCHEMBL252703 0.69 MEN1 (0.37) BACE1BRD4BACE2CTSDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-11-12 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
EP-2519515-B1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2013-11-06 EP disclosed
EP-2519515-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-11-07 EP disclosed
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-11-01 US disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2011080176-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-07-07 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 (3 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP BACE1 2/4885BRD4 617/4885BACE2 1/4885
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A BACE1 436/4885BRD4 1421/4885BACE2 736/4885
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A BACE1 353/4885BRD4 1616/4885BACE2 734/4885

“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.