SCHEMBL2153808

SCHEMBL2153808

COC(=O)C(C)(NC(=O)CCl)c1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
MAPK1 P28482 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.33
ALPL P05186 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14855685 0.87 PTGDR2 (0.37) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL7456603 0.84 ALDH1A1 (0.35) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL29914898 0.83 ALDH1A1 (0.38) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL27159982 0.83 ALDH1A1 (0.38) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL1173519 0.80 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL1173300 0.80 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL1173178 0.80 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL1173180 0.80 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL2591301 0.78 AAK1 (0.37) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL27923825 0.78 AAK1 (0.37) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1

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 SMN1; SMN2 815/4885RAB9A 1227/4885ALDH1A1 2685/4885
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A SMN1; SMN2 116/4885RAB9A 2802/4885ALDH1A1 1183/4885
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A SMN1; SMN2 78/4885RAB9A 2550/4885ALDH1A1 843/4885

“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.