SCHEMBL1122584

SCHEMBL1122584

CC(=O)Nc1cccc(-c2cnc(NC(C)=O)c(Br)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
TP53 P04637 1/20 0.65
STAT1 P42224 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
FYN P06241 3/20 0.58
POLB P06746 1/20 0.56
MCL1 Q07820 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
BRAF P15056 9/20 0.55
ATR Q13535 2/20 0.54
RXFP1 Q9HBX9 1/20 0.50
JAK3 P52333 1/20 0.50

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
SCHEMBL12857500 0.86 NPC1 (0.67) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL1122073 0.76 BRAF (0.70) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL3462149 0.75 ATR (0.67) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL18613229 0.74 FYN (1.00) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL1121851 0.74 BRAF (0.72) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL3461330 0.73 ATR (0.71) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL3409686 0.73 ATR (0.55) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL2648173 0.72 CNR1 (0.65) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL12318239 0.72 NPC1 (0.62) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL13417811 0.71 PDE5A (0.53) NPC1RAB9ATP53STAT1SMN1; SMN2

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
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1831184-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS The Wellcome Trust Limited (GB) 2007-09-12 EP disclosed
WO-2006067466-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS THE WELLCOME TRUST LIMITED (GB) 2006-06-29 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 (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-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR NPC1 1360/4885RAB9A 1909/4885TP53 231/4885

“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.