SCHEMBL15045512

SCHEMBL15045512

Fc1cc2nc([C@@H]3CCCN3)[nH]c2cc1-c1ccc2c(ccc3nc([C@@H]4CCCN4)[nH]c32)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.47
PARP1 P09874 10/20 0.34
CDC7 O00311 6/20 0.34
CCNE1 P24864 6/20 0.34
CDK2 P24941 6/20 0.34
ROCK1 Q13464 6/20 0.34
DBF4 Q9UBU7 6/20 0.34
NR1H4 Q96RI1 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CLK1 P49759 1/20 0.32
DAPK1 P53355 1/20 0.32
CDK3 Q00526 1/20 0.32
DMPK Q09013 1/20 0.32
DYRK1A Q13627 1/20 0.32
HIPK4 Q8NE63 1/20 0.32
DYRK1B Q9Y463 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
SCHEMBL12404403 0.86 SCN10A (0.56) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15045647 0.84 SCN10A (0.54) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL13242539 0.83 SCN10A (0.43) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL10182844 0.81 SCN10A (0.47) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15045511 0.80 SCN10A (0.47) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL13561572 0.79 SCN10A (0.44) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL10201776 0.77 SCN10A (0.53) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12107546 0.76 SCN10A (0.42) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15844575 0.76 SCN10A (0.58) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15844574 0.76 SCN10A (0.58) SCN10APARP1CDC7CCNE1CDK2

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 2530/4885CDC7 3026/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L SCN10A 4438/4885PARP1 1673/4885CDC7 1802/4885

“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.