SCHEMBL577988

SCHEMBL577988

[c]1nc2ccc(-c3ccccc3)cc2nc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
BACE1 P56817 1/20 0.38
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PIK3CA P42336 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PIK3R1 P27986 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL577508 0.82 KDM4E (0.49) RPS6KB2KDM4EMAPTALDH1A1MEN1
SCHEMBL577647 0.82 PDPK1 (0.39) RPS6KB2MAPTCCNE2CDK4CCND1
SCHEMBL577963 0.80 RPS6KB2 (0.42) RPS6KB2KDM4EMAPTALDH1A1MEN1
SCHEMBL577771 0.80 RPS6KB2 (0.39) RPS6KB2KDM4EMAPTALDH1A1MEN1
SCHEMBL577301 0.80 KMT2A (0.45) RPS6KB2KDM4EMAPTPIK3CAALDH1A1
SCHEMBL577571 0.80 RPS6KB2 (0.46) RPS6KB2KDM4EMAPTALDH1A1MEN1
SCHEMBL578083 0.80 NPC1 (0.49) RPS6KB2KDM4EMAPTALDH1A1MEN1
SCHEMBL577959 0.79 RPS6KB2 (0.36) RPS6KB2KDM4EMAPTCCNE2CDK4
SCHEMBL577715 0.78 RPS6KB2 (0.55) RPS6KB2KDM4EMAPTALDH1A1MEN1
SCHEMBL577984 0.77 RPS6KB2 (0.40) RPS6KB2KDM4EMAPTALDH1A1MEN1

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 1615/4885KDM4E 3609/4885MAPT 3077/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885KDM4E 3609/4885MAPT 3077/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885KDM4E 3609/4885MAPT 3077/4885

“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.