SCHEMBL577803

SCHEMBL577803

COc1cc2n[c]c(-c3cccs3)nc2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 3/20 0.64
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PGK1 P00558 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
NQO2 P16083 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HPGD P15428 4/20 0.42

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
SCHEMBL577668 0.83 NPC1 (0.46) RPS6KB2MAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL577508 0.77 KDM4E (0.49) RPS6KB2HSD17B10ALDH1A1KDM4ENPC1
SCHEMBL577301 0.75 KMT2A (0.45) RPS6KB2ALDH1A1KDM4ENPC1MAPT
SCHEMBL578083 0.75 NPC1 (0.49) RPS6KB2HSD17B10ALDH1A1KDM4ENPC1
SCHEMBL577571 0.75 RPS6KB2 (0.46) RPS6KB2MAPK1ALDH1A1KDM4ENPC1
SCHEMBL577427 0.75 ALDH1A1 (0.41) RPS6KB2HSD17B10ALDH1A1KDM4ENPC1
SCHEMBL577397 0.75 KDM1A (0.41) RPS6KB2HSD17B10ALDH1A1KDM4ENPC1
SCHEMBL8211524 0.74 RPS6KB2 (0.82) RPS6KB2PDGFRBPDGFRAMAPK1HSD17B10
SCHEMBL577988 0.73 RPS6KB2 (0.42) RPS6KB2HSD17B10ALDH1A1KDM4ENPC1
SCHEMBL1232473 0.73 SCD (0.50) RPS6KB2MAPK1HSD17B10ALDH1A1KDM4E

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 1615/4885PDGFRB 1104/4885PDGFRA 2082/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885PDGFRB 1104/4885PDGFRA 2082/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885PDGFRB 1104/4885PDGFRA 2082/4885

“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.