SCHEMBL577647

SCHEMBL577647

[c]1nc2ccc(-c3nccs3)cc2nc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
RPS6KB2 Q9UBS0 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CYP2A6 P11509 1/20 0.35
HDAC2 Q92769 2/20 0.35
TGFBR1 P36897 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALK Q9UM73 1/20 0.34
SREBF2 Q12772 1/20 0.33
ADRB2 P07550 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP19A1 P11511 1/20 0.33
HDAC3 O15379 1/20 0.32

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
SCHEMBL577988 0.82 RPS6KB2 (0.42) RPS6KB2NPC1RAB9AALKKCNH2
SCHEMBL577301 0.76 KMT2A (0.45) RPS6KB2HDAC2NPC1RAB9AMAPT
SCHEMBL577571 0.76 RPS6KB2 (0.46) RPS6KB2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL578083 0.76 NPC1 (0.49) RPS6KB2NPC1RAB9AKCNH2MAPT
SCHEMBL577959 0.75 RPS6KB2 (0.36) RPS6KB2HDAC2NPC1RAB9AKCNH2
SCHEMBL577508 0.75 KDM4E (0.49) RPS6KB2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24460024 0.73 NAMPT (0.47) RPS6KB2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL577984 0.73 RPS6KB2 (0.40) RPS6KB2NPC1RAB9ACYP17A1CYP11B1
SCHEMBL577427 0.73 ALDH1A1 (0.41) RPS6KB2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL577211 0.73 ABCG2 (0.41) RPS6KB2NPC1RAB9AMAPTSMN1; SMN2

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 PDPK1 2431/4885RPS6KB2 1615/4885LOXL2 2016/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDPK1 2431/4885RPS6KB2 1615/4885LOXL2 2016/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDPK1 2431/4885RPS6KB2 1615/4885LOXL2 2016/4885

“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.