Sugi Predict

Sugi Predict / Compounds / SCHEMBL2706498

SCHEMBL2706498

SCHEMBL2706498

Brc1ccc2cc(-c3cnc([C@@H]4CCCN4)[nH]3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ CDC7 O00311 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ CSNK2B P67870 2/20 0.43
▸ CSNK2A1 P68400 2/20 0.43
▸ NR1H4 Q96RI1 2/20 0.40
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ PYGL P06737 2/20 0.37
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ SCN3A Q9NY46 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33

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
SCHEMBL204798 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CDC7
Hydrochloric Acid SCHEMBL12098612 0.99 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14CDC7
Hydrochloric Acid SCHEMBL12098609 0.99 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14CDC7
SCHEMBL2706464 0.92 NR1H4 (0.45) MAPK13MAPK12MAPK11MAPK14NR1H4
SCHEMBL16802956 0.90 NR1H4 (0.43) MAPK13MAPK12MAPK11MAPK14NR1H4
SCHEMBL12965882 0.90 NR1H4 (0.43) MAPK13MAPK12MAPK11MAPK14NR1H4
SCHEMBL1293729 0.89 NR1H4 (0.43) MAPK13MAPK12MAPK11MAPK14NR1H4
SCHEMBL1293727 0.89 NR1H4 (0.43) MAPK13MAPK12MAPK11MAPK14NR1H4
SCHEMBL21809364 0.88 NR1H4 (0.53) MAPK13MAPK12MAPK11MAPK14NR1H4
SCHEMBL15277196 0.88 NR1H4 (0.53) MAPK13MAPK12MAPK11MAPK14NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 — — US disclosed
EP-2797913-B1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-17 — — EP disclosed
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 — — US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 — — US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 — — US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 — — US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
WO-2013098320-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN R&D IRELAND (IE) 2013-07-04 — — WO disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
WO-2012013643-A1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2012-02-02 — — WO disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US 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 (9 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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC MAPK13 4644/4885MAPK12 3970/4885MAPK11 4480/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS EIF2AK2, NQO2, IRF3 MAPK13 2358/4885MAPK12 2597/4885MAPK11 3557/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 MAPK13 3755/4885MAPK12 3872/4885MAPK11 3974/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885

“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.