Dasabuvir

Dasabuvir

SCHEMBL351053

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NS5b

The experimentally established mechanism targets of Dasabuvir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 1.00
CYP3A4 P08684 3/20 0.39
BRPF1 P55201 1/20 0.35
TP53 P04637 2/20 0.34
OGT O15294 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 5/20 0.34
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
DUT P33316 2/20 0.33
PLAU P00749 1/20 0.33
PTGS2 P35354 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
Dasabuvir SCHEMBL29838781 1.00 CRBN (1.00) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL29362730 1.00 CRBN (1.00) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL31554838 1.00 CRBN (1.00) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL2367895 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL2368377 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL2367923 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL2368084 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL12537982 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL2367922 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT
Dasabuvir SCHEMBL2367744 0.99 CRBN (0.98) CRBNCYP3A4BRPF1TP53OGT

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 267 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201542-B2 Formulations of pyrimidinedione derivative compounds ABBVIE INC. (US) 2019-02-12 US claimed
US-9732045-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2017-08-15 US claimed
US-20170181973-A1 FORMULATIONS OF PYRIMIDINEDIONE DERIVATIVE COMPOUNDS ABBVIE INC. 2017-06-29 US claimed
US-9629841-B2 Formulations of pyrimidinedione derivative compounds ABBVIE INC. (US) 2017-04-25 US claimed
US-20160332973-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. 2016-11-17 US claimed
US-9434698-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-09-06 US claimed
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP claimed
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 EP claimed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US claimed
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2015-07-09 US claimed
US-8501238-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2013-08-06 US claimed
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-09-27 US claimed
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-08-23 US claimed
US-8188104-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2012-05-29 US claimed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
EP-2368882-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2011-09-28 EP claimed
EP-2203431-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LAB (US) 2011-08-10 EP claimed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP claimed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US claimed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20170181973-A1 FORMULATIONS OF PYRIMIDINEDIONE DERIVATIVE COMPOUNDS DPYD, TYMP, TYMS CRBN 4474/4885CYP3A4 277/4885BRPF1 2345/4885
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CRBN 3902/4885CYP3A4 1675/4885BRPF1 2988/4885
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CRBN 3902/4885CYP3A4 1675/4885BRPF1 2988/4885
US-10201542-B2 Formulations of pyrimidinedione derivative compounds DPYD, TYMP, TYMS CRBN 4474/4885CYP3A4 277/4885BRPF1 2345/4885
US-20160332973-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS CRBN 2554/4885CYP3A4 155/4885BRPF1 2952/4885
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, MAVS, RNASE1 CRBN 2709/4885CYP3A4 173/4885BRPF1 2956/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CRBN 3902/4885CYP3A4 1675/4885BRPF1 2988/4885
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS CRBN 2554/4885CYP3A4 155/4885BRPF1 2952/4885

“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.