SCHEMBL9977148

SCHEMBL9977148

Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.41
AKT1 P31749 3/20 0.41
HPGDS O60760 6/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KCNH2 Q12809 2/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TTK P33981 2/20 0.35

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
SCHEMBL10144781 0.85 HPGDS (0.40) RPS6KB1AKT1HPGDSSCN10ATLR9
SCHEMBL16577384 0.84 RPS6KB1 (0.46) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL9977152 0.81 RPS6KB1 (0.39) RPS6KB1AKT1HPGDSSCN10ATLR9
SCHEMBL9977151 0.81 RPS6KB1 (0.39) RPS6KB1AKT1HPGDSSCN10ATLR9
SCHEMBL9977195 0.80 MAPK13 (0.52) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL16352857 0.80 HPGDS (0.46) RPS6KB1AKT1HPGDSSCN10ATLR9
SCHEMBL16577349 0.80 SSTR3 (0.48) HPGDSSCN10AKCNH2SSTR3SSTR5
SCHEMBL19566591 0.79 SCN10A (0.52) HPGDSSCN10AKCNH2SSTR3SSTR5
SCHEMBL17014412 0.79 MAPK13 (0.51) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL10144846 0.79 MAPK13 (0.51) RPS6KB1AKT1HPGDSSCN10AKCNH2

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 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885HPGDS 2361/4885

“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.