SCHEMBL1496449

SCHEMBL1496449

CC(C)Nc1cccnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
BACE1 P56817 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
SHMT2 P34897 1/20 0.42
AOC1 P19801 2/20 0.40
AOC3 Q16853 2/20 0.40
SYK P43405 1/20 0.38
NAPRT Q6XQN6 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
GRM5 P41594 1/20 0.35
APP P05067 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL24488547 0.85 BACE1 (0.42) IDO1BACE1NOS3NOS1NOS2
SCHEMBL12423019 0.78 IDO1 (0.49) IDO1NOS3NOS1NOS2AOC1
SCHEMBL25783380 0.78 IDO1 (0.49) IDO1AOC1AOC3TDP1
SCHEMBL30844245 0.77
SCHEMBL317617 0.77
SCHEMBL17131661 0.76 IDO1 (0.47) IDO1AOC1AOC3NAPRTTDP1
SCHEMBL7281114 0.76 APP (0.46) IDO1NOS3NOS1NOS2SYK
SCHEMBL23066218 0.76 IDO1 (0.56) IDO1AOC1AOC3TDP1
SCHEMBL1853516 0.76 IDO1 (0.47) IDO1AOC1AOC3TDP1
SCHEMBL2037028 0.76 POLB (0.47) IDO1

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 8 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
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
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US 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
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 IDO1 1194/4885BACE1 3971/4885NOS3 4067/4885

“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.