SCHEMBL14730751

SCHEMBL14730751

COCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCNC4)cc23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.42
TLR8 Q9NR97 2/20 0.42
KDR P35968 1/20 0.42
JAK2 O60674 1/20 0.41
TLR9 Q9NR96 3/20 0.41
RAB9A P51151 2/20 0.39
ACSS2 Q9NR19 1/20 0.39
NPC1 O15118 1/20 0.38
SMYD3 Q9H7B4 4/20 0.38
SUV39H1 O43463 1/20 0.38
PRMT1 Q99873 1/20 0.38
MAPK1 P28482 1/20 0.37
OPRK1 P41145 1/20 0.37
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TOP2A P11388 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL14730796 0.87 KDR (0.46) TLR7TLR8KDRJAK2RAB9A
SCHEMBL14730722 0.87 KDR (0.46) TLR7TLR8KDRJAK2RAB9A
SCHEMBL14730703 0.87 KDR (0.44) TLR7TLR8KDRJAK2RAB9A
SCHEMBL14730723 0.85 KDR (0.43) TLR7TLR8KDRJAK2TLR9
SCHEMBL14730766 0.82 RAB9A (0.47) TLR7TLR8KDRJAK2TLR9
SCHEMBL14730725 0.82 RAB9A (0.47) TLR7TLR8KDRJAK2TLR9
SCHEMBL16248395 0.82 RAB9A (0.47) TLR7TLR8KDRJAK2TLR9
SCHEMBL16248387 0.82 RAB9A (0.47) TLR7TLR8KDRJAK2TLR9
SCHEMBL14730749 0.81 KDR (0.44) TLR7TLR8KDRJAK2TLR9
SCHEMBL14730798 0.80 RAB9A (0.44) TLR7TLR8KDRJAK2TLR9

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-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
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 TLR7 1107/4885TLR8 3173/4885KDR 4426/4885

“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.