SCHEMBL578070

SCHEMBL578070

[O]c1nc2ccccc2nc1-c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.58
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
HSD17B10 Q99714 4/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 1/20 0.54
MAPK10 P53779 1/20 0.54
ADORA2A P29274 4/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
F2 P00734 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SRPK1 Q96SB4 1/20 0.44

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
SCHEMBL16027135 0.86 RPS6KB2 (0.74) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL31393470 0.86 RPS6KB2 (0.74) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL19066635 0.84 RPS6KB2 (0.71) RPS6KB2NPC1RAB9AHSD17B10CASP1
Bromide SCHEMBL19066634 0.82 RPS6KB2 (0.69) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL1128864 0.78 RPS6KB2 (0.58) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL16519335 0.78 RPS6KB2 (0.58) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL578071 0.78 RPS6KB2 (0.61) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL31265460 0.78 RPS6KB2 (0.61) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL6233009 0.74 RPS6KB2 (0.53) RPS6KB2NPC1RAB9AHSD17B10CASP1
SCHEMBL8006456 0.74 RPS6KB2 (0.53) RPS6KB2NPC1RAB9AHSD17B10CASP1

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 RPS6KB2 1615/4885NPC1 427/4885RAB9A 2215/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885NPC1 427/4885RAB9A 2215/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885NPC1 427/4885RAB9A 2215/4885

“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.