SCHEMBL1982269

SCHEMBL1982269

CC(C)(C)c1ccc(N2[C@H](c3ccc(NC(=O)C4CCCN4)cc3)CC[C@H]2c2ccc3[nH]c(C4CCCN4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.47
PSMB8 P28062 2/20 0.41
SCN3A Q9NY46 3/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
DHODH Q02127 2/20 0.38
JAK2 O60674 2/20 0.38
PDGFRB P09619 2/20 0.38
FLT3 P36888 2/20 0.38
IKBKB O14920 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
RPS6KB1 P23443 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
MAP3K9 P80192 1/20 0.38

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
SCHEMBL1983260 1.00 SCN10A (0.47) SCN10APSMB8SCN3ASCN9ASCN5A
SCHEMBL1982263 1.00 SCN10A (0.47) SCN10APSMB8SCN3ASCN9ASCN5A
SCHEMBL1983264 1.00 SCN10A (0.47) SCN10APSMB8SCN3ASCN9ASCN5A
SCHEMBL3265964 0.87 SCN10A (0.61) SCN10A
SCHEMBL2756437 0.87 SCN10A (0.61) SCN10A
SCHEMBL1592503 0.87 SCN10A (0.61) SCN10A
SCHEMBL1592500 0.87 SCN10A (0.61) SCN10A
SCHEMBL3266041 0.85 SCN3A (0.45) PSMB8SCN3ASCN9ASCN5AJAK2
SCHEMBL12684516 0.82 SCN10A (0.55) SCN10A
Hydrochloric Acid SCHEMBL1986434 0.81 SCN3A (0.46) PSMB8SCN3ASCN9ASCN5ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 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 (2 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-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PSMB8 2091/4885SCN3A 4568/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PSMB8 2091/4885SCN3A 4568/4885

“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.