SCHEMBL577780

SCHEMBL577780

O=C(Cc1ccccc1)c1ccc2n[c]c(-c3cccs3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.43
SRPK1 Q96SB4 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
PLAU P00749 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL577563 0.85 HPGDS (0.55) SMN1; SMN2ALDH1A1LMNAHPGDPLAU
SCHEMBL577715 0.85 RPS6KB2 (0.55) SRPK1RPS6KB2SMN1; SMN2ALDH1A1LMNA
SCHEMBL578206 0.82 KDM4E (0.51) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL577771 0.79 RPS6KB2 (0.39) RPS6KB2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL577984 0.76 RPS6KB2 (0.40) SRPK1RPS6KB2SMN1; SMN2ALDH1A1LMNA
SCHEMBL577962 0.75 CYP3A4 (0.45) RPS6KB2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL577988 0.74 RPS6KB2 (0.42) RPS6KB2ALDH1A1HPGDMEN1KMT2A
SCHEMBL577571 0.74 RPS6KB2 (0.46) SRPK1RPS6KB2SMN1; SMN2ALDH1A1HPGD
SCHEMBL577508 0.73 KDM4E (0.49) RPS6KB2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL1904092 0.72 NPC1 (0.58) SRPK1RPS6KB2SMN1; SMN2ALDH1A1LMNA

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 GRM1 4625/4885SRPK1 967/4885RPS6KB2 1615/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GRM1 4625/4885SRPK1 967/4885RPS6KB2 1615/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GRM1 4625/4885SRPK1 967/4885RPS6KB2 1615/4885

“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.