SCHEMBL15045647

SCHEMBL15045647

c1cc2c(ccc3nc([C@@H]4CCCN4)[nH]c32)cc1-c1ccc2nc([C@@H]3CCCCN3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.54
PARP1 P09874 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
USP30 Q70CQ3 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
CDC7 O00311 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
ROCK1 Q13464 5/20 0.36
DBF4 Q9UBU7 5/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CLK1 P49759 2/20 0.36
DAPK1 P53355 2/20 0.36
DMPK Q09013 2/20 0.36

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
SCHEMBL12404403 0.98 SCN10A (0.56) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL15045511 0.88 SCN10A (0.47) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL10182844 0.88 SCN10A (0.47) SCN10APARP1NR1H4CDC7CCNE1
SCHEMBL16907913 0.87 SCN10A (0.64) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293364 0.87 SCN10A (0.64) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293368 0.87 SCN10A (0.64) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293406 0.86 SCN10A (0.63) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL1293405 0.86 SCN10A (0.63) SCN10APARP1NPC1RAB9AAAK1
SCHEMBL13242539 0.86 SCN10A (0.43) SCN10APARP1NR1H4CDC7CCNE1
SCHEMBL10202375 0.85 SCN10A (0.55) SCN10APARP1NPC1RAB9AAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (2 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 SCN10A 3547/4885PARP1 2530/4885NPC1 193/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L SCN10A 4438/4885PARP1 1673/4885NPC1 39/4885

“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.