SCHEMBL577571

SCHEMBL577571

Oc1ccc2n[c]c(-c3cccs3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.46
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ERN1 O75460 1/20 0.36
ALDH1A1 P00352 2/20 0.36
VCP P55072 1/20 0.36
MAOB P27338 1/20 0.36
SRPK1 Q96SB4 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
SCHEMBL577301 0.82 KMT2A (0.45) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL578083 0.82 NPC1 (0.49) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577984 0.82 RPS6KB2 (0.40) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577508 0.81 KDM4E (0.49) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577715 0.81 RPS6KB2 (0.55) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577988 0.80 RPS6KB2 (0.42) RPS6KB2MAPTNPC1MEN1KMT2A
SCHEMBL577663 0.80 MAPT (0.44) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577427 0.79 ALDH1A1 (0.41) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577211 0.79 ABCG2 (0.41) RPS6KB2MAPTNPC1SMN1; SMN2MEN1
SCHEMBL577397 0.79 KDM1A (0.41) RPS6KB2MAPTNPC1SMN1; SMN2MEN1

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 1615/4885ESR2 2584/4885ESR1 2842/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885ESR2 2584/4885ESR1 2842/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885ESR2 2584/4885ESR1 2842/4885

“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.