SCHEMBL577668

SCHEMBL577668

COc1ccc2nc(-c3cccs3)[c]nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
KDM4E B2RXH2 9/20 0.46
RAB9A P51151 9/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 1/20 0.46
RPS6KB2 Q9UBS0 2/20 0.43
MAPT P10636 7/20 0.43
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MAOB P27338 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL577803 0.83 RPS6KB2 (0.64) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL577963 0.79 RPS6KB2 (0.42) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL6237742 0.79 RPS6KB2 (0.69) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL577508 0.78 KDM4E (0.49) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL577962 0.75 CYP3A4 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL8211545 0.74 RPS6KB2 (0.58) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL8213353 0.74 RPS6KB2 (0.58) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL577571 0.73 RPS6KB2 (0.46) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL577301 0.73 KMT2A (0.45) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL578083 0.73 NPC1 (0.49) NPC1MEN1KMT2AKDM4ERAB9A

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 NPC1 427/4885MEN1 3502/4885KMT2A 4323/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885MEN1 3502/4885KMT2A 4323/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885MEN1 3502/4885KMT2A 4323/4885

“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.