SCHEMBL19697871

SCHEMBL19697871

Brc1ccc2cc(-c3cnc([C@H]4C[C@@H]5C[C@@H]5C4)[nH]3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PYGL P06737 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.35
RPS6KB1 P23443 5/20 0.35
AKT1 P31749 3/20 0.35
HPGDS O60760 3/20 0.34
ABL1 P00519 1/20 0.33
TTK P33981 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL16577375 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL7600347 0.85 SCN10A (0.43) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL12104873 0.80 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL9977462 0.79 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL7605047 0.78 SCN10A (0.38) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL17656297 0.78 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL2706498 0.76 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL204798 0.76 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14PYGL
SCHEMBL15397724 0.76 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14PYGL
Hydrochloric Acid SCHEMBL12098612 0.75 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL MAPK13 3355/4885MAPK12 3602/4885MAPK11 3965/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS MAPK13 3156/4885MAPK12 3705/4885MAPK11 4076/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885

“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.