SCHEMBL9977513

SCHEMBL9977513

Brc1ccc2c(c1)oc1cc(-c3cnc([C@H]4CCC5(CC5)C4)[nH]3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
RPS6KB1 P23443 5/20 0.33
AKT1 P31749 3/20 0.33
HPGDS O60760 2/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
SSTR3 P32745 2/20 0.31
KCNH2 Q12809 2/20 0.31
SCN10A Q9Y5Y9 1/20 0.30
SSTR5 P35346 1/20 0.30
NPY5R Q15761 1/20 0.30
PYGL P06737 1/20 0.30
CDC7 O00311 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL9977369 0.85 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14RPS6KB1
SCHEMBL9977086 0.78 RPS6KB1 (0.34) MAPK13MAPK12MAPK11MAPK14RPS6KB1
SCHEMBL19318865 0.77 CDC7 (0.46) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL205101 0.70 PRCP (0.39)
SCHEMBL2708418 0.70 PRCP (0.39)
SCHEMBL2757203 0.70 PRCP (0.39)
SCHEMBL204512 0.68 PRCP (0.46) HPGDSKCNH2
SCHEMBL18462708 0.68 PRCP (0.46) HPGDSKCNH2
SCHEMBL2708812 0.68 PRCP (0.46) HPGDSKCNH2
SCHEMBL456621 0.68 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 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
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK13 3853/4885MAPK12 3385/4885MAPK11 3861/4885
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-20120264711-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-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.