SCHEMBL9977194

SCHEMBL9977194

Brc1ccc(-c2cnc([C@H]3C[C@@H]4CC[C@H]3C4)[nH]2)cc1

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
TRPV1 Q8NER1 1/20 0.38
PTGES O14684 1/20 0.36
HSP90AA1 P07900 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.33
TTK P33981 2/20 0.33
HPGDS O60760 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL9977462 0.88 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL15430189 0.78 LPL (0.37) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL456621 0.76 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL16577375 0.76 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL13447774 0.75 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL15058122 0.75 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL15057672 0.75 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL17656261 0.75 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL9977195 0.74 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL16368695 0.74

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 8 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-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-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 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-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 (5 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-20120157404-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.