SCHEMBL8279468

SCHEMBL8279468

CC(=O)C1CSc2cccnc2N1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ KCNN4 O15554 3/20 0.33
▸ MYC P01106 1/20 0.33
▸ P2RX7 Q99572 3/20 0.33
▸ CHIA Q9BZP6 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL8277218 0.77 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL8277210 0.72 ADORA3 (0.37) KMT2AMTNR1AMYCP2RX7CHIA
SCHEMBL8279306 0.72 MTNR1A (0.47) KMT2AMTNR1ACHIASMN1; SMN2HDAC6
SCHEMBL8279464 0.71 RIPK1 (0.41) KMT2AMTNR1A
SCHEMBL8277199 0.71 HDAC6 (0.32) KMT2ASMN1; SMN2HDAC6HRH4
SCHEMBL8277208 0.71 ADORA3 (0.33) SMN1; SMN2HDAC6HRH4
SCHEMBL14117399 0.66 MAPK1 (0.34) —
SCHEMBL26542949 0.65 KCNN4 (0.50) KCNN4SMN1; SMN2
SCHEMBL24640217 0.65 HTR2A (0.45) CHIAHRH4
SCHEMBL24640253 0.65 HTR2A (0.45) CHIAHRH4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 — — US disclosed
EP-1692157-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2013-04-17 — — EP disclosed
EP-2468744-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-27 — — EP disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
EP-2361925-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-31 — — EP disclosed
EP-2311851-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-20 — — EP disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 — — US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
WO-2005077969-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-25 — — WO disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 — — WO 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-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 KMT2A 2481/4885MTNR1A 3975/4885KCNN4 4554/4885
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 KMT2A 2481/4885MTNR1A 3975/4885KCNN4 4554/4885
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 KMT2A 2411/4885MTNR1A 3954/4885KCNN4 4800/4885

“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.

Send feedback