SCHEMBL577698

SCHEMBL577698

Cc1csc(-c2cc(O)nc(-c3nc(C(F)(F)F)cs3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
PTGS2 P35354 1/20 0.38
IDH1 O75874 4/20 0.38
SMPD1 P17405 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGES O14684 2/20 0.35
NTRK1 P04629 2/20 0.35
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
MIF P14174 1/20 0.34
ADORA2A P29274 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TGFBR1 P36897 1/20 0.33

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
SCHEMBL11905052 0.92 IDH1 (0.42) IDH1PTGESLMNAPOLBTGFBR1
SCHEMBL13147680 0.85 PTGS2 (0.40) PDE10APTGS2IDH1MAPTNPSR1
SCHEMBL11904920 0.85 PDE10A (0.39) PDE10APTGS2SMPD1MAPTNPSR1
SCHEMBL585248 0.83 IDH1 (0.36) IDH1PTGESLMNA
SCHEMBL11904917 0.83 IDH1 (0.38) IDH1PTGESHPGD
SCHEMBL578040 0.83 ALDH1A1 (0.38) PTGS2IDH1MAPTNPSR1PTGES
SCHEMBL578111 0.82 IDH1 (0.46) IDH1LMNAPOLBTGFBR1
SCHEMBL577826 0.82 SRC (0.36) IDH1SRCCDK2ZAP70SYK
SCHEMBL577994 0.81 PTGES (0.35) IDH1PTGESNTRK1LMNA
SCHEMBL578287 0.81 SYK (0.40) IDH1SRCCDK2ZAP70SYK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
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-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-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
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
WO-2012109398-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 WO disclosed
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 US 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
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
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
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 (4 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-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS PRSS1, SERPINB1, SPINT2 PDE10A 2979/4885PTGS2 2511/4885IDH1 1989/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE10A 3741/4885PTGS2 2395/4885IDH1 1513/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE10A 3741/4885PTGS2 2395/4885IDH1 1513/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE10A 3741/4885PTGS2 2395/4885IDH1 1513/4885

“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.