SCHEMBL577737

SCHEMBL577737

[O]c1nc(-c2ccccn2)nc2ccsc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.53
ADORA2A P29274 3/20 0.53
SLC2A1 P11166 2/20 0.51
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
METAP1 P53582 1/20 0.48
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL4740163 0.83 METAP1 (0.60) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL577738 0.82 ADORA2A (0.53) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL15692154 0.82 ADORA2A (0.57) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL20665356 0.82 ADORA1 (0.53) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL13242410 0.78 ADORA2A (0.60) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL8140885 0.78 ADORA2A (0.53) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL13222014 0.78 ADORA2A (0.53) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL7922052 0.78 ADORA2A (0.50) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL8381283 0.76 ADORA2A (0.57) ADORA1ADORA2ASLC2A1KDM4ETDP1
SCHEMBL12192256 0.75 TRPM8 (0.56) ADORA1ADORA2ASLC2A1KDM4ETDP1

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 ADORA1 4714/4885ADORA2A 4585/4885SLC2A1 4207/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ADORA1 4714/4885ADORA2A 4585/4885SLC2A1 4207/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ADORA1 4714/4885ADORA2A 4585/4885SLC2A1 4207/4885

“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.