SCHEMBL9977462

SCHEMBL9977462

Brc1ccc2cc(-c3cnc([C@H]4C[C@@H]5CC[C@H]4C5)[nH]3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PYGL P06737 2/20 0.36
RPS6KB1 P23443 3/20 0.32
AKT1 P31749 3/20 0.32
ABL1 P00519 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
PBK Q96KB5 2/20 0.31
SCN10A Q9Y5Y9 1/20 0.30
TTK P33981 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
SCHEMBL9977194 0.88 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL19697871 0.79 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL16368695 0.79
SCHEMBL17656297 0.78 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL7600347 0.78 SCN10A (0.43) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL12104873 0.75 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL15397695 0.74 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL2706498 0.74 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL204798 0.74 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CYP11B1
Hydrochloric Acid SCHEMBL12098609 0.73 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14CYP11B1

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.