SCHEMBL16847261

SCHEMBL16847261

c1cc2c(cc1-c1cnc([C@@H]3CCCN3)[nH]1)OCC1=C2COc2cc(-c3cnc([C@@H]4CCCN4)[nH]3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

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
L3MBTL1 Q9Y468 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
KCNH2 Q12809 1/20 0.34
HPGDS O60760 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
SSTR3 P32745 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
CHRNA7 P36544 1/20 0.32
CDC7 O00311 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ROCK1 Q13464 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
SCN3A Q9NY46 2/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL19196980 0.90 SSTR3 (0.32) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL19204557 0.90 SSTR3 (0.32) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL16847124 0.87 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL16847082 0.85 ESR1 (0.49) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL16364830 0.84 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL203847 0.82 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL2707137 0.82 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL2627616 0.82 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL9284198 0.81 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL9280936 0.81 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083634-B1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9828365-B2 Fused tetracyclic heterocyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-9828365-B2 Fused tetracyclic heterocyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-20170217940-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20170217940-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
WO-2015094998-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089810-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO 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 (1 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-20170217940-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, F9, RAB9A MAPK13 4726/4885MAPK12 4564/4885MAPK11 4234/4885

“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.