SCHEMBL577672

SCHEMBL577672

Fc1ccccc1-c1ccc2nc[c]nc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
BACE1 P56817 1/20 0.47
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
ALOX5AP P20292 4/20 0.40
FEN1 P39748 4/20 0.40
TRPA1 O75762 1/20 0.40
ACMSD Q8TDX5 1/20 0.38
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
PDK2 Q15119 1/20 0.36
SCD O00767 1/20 0.36
TGFBR1 P36897 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPK14 Q16539 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL407512 0.72 KDM4E (0.38) BACE1
SCHEMBL8027683 0.71 PIK3R1 (0.50) MAP4K4BACE1PIK3R1PIK3CAPTPRC
SCHEMBL13788341 0.71 PIK3R1 (0.50) MAP4K4BACE1PIK3R1PIK3CAPTPRC
SCHEMBL1671574 0.69
SCHEMBL1973 0.69 MAPT (0.36)
SCHEMBL28806736 0.69 BACE1 (0.47) MAP4K4BACE1PIK3R1PIK3CAPTPRC
SCHEMBL27998035 0.68 NPC1 (0.65) MAP4K4BACE1PIK3R1PIK3CAPTPRC
SCHEMBL8011235 0.68 PIK3R1 (0.47) MAP4K4BACE1PIK3R1PIK3CAPTPRC
SCHEMBL13373341 0.67 QPCT (0.51) MAP4K4BACE1PIK3R1PIK3CAPTPRC
SCHEMBL576898 0.66 NQO2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAP4K4 2360/4885BACE1 153/4885PIK3R1 3360/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAP4K4 2360/4885BACE1 153/4885PIK3R1 3360/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAP4K4 2360/4885BACE1 153/4885PIK3R1 3360/4885

“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.