SCHEMBL14730801

SCHEMBL14730801

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 15/20 0.48
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL14730746 0.93 KDM5A (0.46) KDM5ATLR9TLR8TLR7EPHX2
SCHEMBL14731401 0.84 KDM5A (0.46) KDM5A
SCHEMBL14730773 0.83 TLR9 (0.38) KDM5ATLR9TLR8TLR7
SCHEMBL16248388 0.83 TLR9 (0.43) KDM5ATLR9TLR8TLR7
SCHEMBL14730859 0.82 KDM5A (0.45) KDM5ATLR9TLR8TLR7EPHX2
SCHEMBL14730803 0.82 KDM5A (0.38) KDM5ATLR9TLR8TLR7
SCHEMBL14730721 0.81 USP30 (0.49)
SCHEMBL14730838 0.79 RAB9A (0.42) TLR9TLR8TLR7
SCHEMBL14730713 0.79 KDM5A (0.39) KDM5ATLR9TLR8TLR7
SCHEMBL14730726 0.79 RAB9A (0.45) TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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 (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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 KDM5A 4381/4885TLR9 3787/4885TLR8 3173/4885

“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.