SCHEMBL10097802

SCHEMBL10097802

CCNC(=O)Nc1cccc(-c2c(N)c3ccc(OCCCN4CCCC4)cc3n2CC)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.46
TLR9 Q9NR96 3/20 0.45
AVPR1B P47901 3/20 0.43
TLR7 Q9NYK1 2/20 0.43
EPHX2 P34913 2/20 0.43
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL10097697 0.93 EPHX2 (0.53) AVPR1BEPHX2
SCHEMBL10249267 0.89 MET (0.47) METTLR9TLR7HRH3
SCHEMBL10096333 0.88 MET (0.44) METTLR9AVPR1BEPHX2AURKA
SCHEMBL10249321 0.88 MET (0.47) METTLR9HRH3
SCHEMBL10097493 0.86 EPHX2 (0.51) EPHX2AURKAAURKB
SCHEMBL10097406 0.86 EPHX2 (0.50) EPHX2
SCHEMBL10097486 0.84 EPHX2 (0.51) EPHX2AURKAAURKB
SCHEMBL10252373 0.84 MTNR1B (0.48) MAPT
SCHEMBL10253105 0.84 MET (0.41) METTLR9EPHX2
SCHEMBL10249337 0.83 EPHX2 (0.43) METTLR9AVPR1BEPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MET 1695/4885TLR9 3051/4885AVPR1B 4081/4885

“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.