SCHEMBL1496446

SCHEMBL1496446

c1cc(-c2nnn[nH]2)cc(-c2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
CYP2A6 P11509 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
KAT6A Q92794 1/20 0.37
NTRK1 P04629 1/20 0.36
FFAR1 O14842 1/20 0.36
METAP1 P53582 1/20 0.36
PRKDC P78527 1/20 0.35
ADRB2 P07550 1/20 0.35
CHEK1 O14757 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
KDR P35968 1/20 0.34
HDAC2 Q92769 1/20 0.34
EGFR P00533 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL12761250 0.80 GP6 (0.37)
SCHEMBL15805858 0.80 PDPK1 (0.72) PDPK1CYP2A6LOXL2PTGDR2KAT6A
SCHEMBL909645 0.79 METAP1 (0.41) PDPK1CYP2A6LOXL2METAP1ADRB2
SCHEMBL16159287 0.77 PDPK1 (0.67) PDPK1CYP2A6LOXL2PTGDR2KAT6A
SCHEMBL4655029 0.74 GP6 (0.49)
SCHEMBL4425765 0.74 PDPK1 (0.74) PDPK1CYP2A6LOXL2PTGDR2KAT6A
SCHEMBL12794006 0.73 GP6 (0.58) PDPK1CYP2A6
SCHEMBL20550702 0.73 PDPK1 (0.60) PDPK1CYP2A6LOXL2PTGDR2KAT6A
SCHEMBL30060874 0.71 PDPK1 (0.58) PDPK1CYP2A6LOXL2PTGDR2KAT6A
SCHEMBL16159315 0.71 PDPK1 (0.58) PDPK1CYP2A6LOXL2PTGDR2KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001302-A Cyclic peptide inhibitors of hepatitis C virus replication INTERMUNE INC 2015-10-28 CN disclosed
CN-102741270-B Cyclic peptide inhibitors of hepatitis C virus replication INTERMUNE INC 2015-07-22 CN disclosed
CN-102741270-A Cyclic peptide inhibitors of hepatitis c virus replication INTERMUNE INC 2012-10-17 CN disclosed
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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 (1 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 PDPK1 2686/4885CYP2A6 403/4885LOXL2 3111/4885

“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.