SCHEMBL577938

SCHEMBL577938

COc1c(-c2nc(NC(C)C)cs2)[c]nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
APP P05067 1/20 0.33
ACP1 P24666 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
RAD52 P43351 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL577569 0.82 POLB (0.41) POLBKDM4EALDH1A1
SCHEMBL577868 0.77 POLB (0.40) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL577791 0.69 POLB (0.55) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL4720813 0.67 POLB (0.49) POLBMEN1MAPTKMT2AKDM4E
SCHEMBL577313 0.66 CCR4 (0.39) MEN1KMT2AKDM4EALDH1A1
SCHEMBL577274 0.66 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1ELANE
SCHEMBL576844 0.65 CCR4 (0.38)
SCHEMBL577494 0.64 POLB (0.39) POLBKDM4EALDH1A1
SCHEMBL9163042 0.64 POLB (0.55) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL558392 0.64 POLB (0.55) POLBMAPTKMT2AKDM4EALDH1A1

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 POLB 3460/4885MEN1 3502/4885MAPT 3077/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 POLB 3460/4885MEN1 3502/4885MAPT 3077/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 POLB 3460/4885MEN1 3502/4885MAPT 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.