SCHEMBL2625548

SCHEMBL2625548

c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2c(c1)CCCCc1[nH]c([C@@H]3CCCN3)nc1-2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPY5R Q15761 8/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
SCN3A Q9NY46 2/20 0.32
SCN9A Q15858 1/20 0.32
PRCP P42785 1/20 0.32
KCNH2 Q12809 2/20 0.32
SSTR3 P32745 1/20 0.32
PIKFYVE Q9Y2I7 1/20 0.31
BRAF P15056 1/20 0.31
CDC7 O00311 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
ROCK1 Q13464 1/20 0.31
DBF4 Q9UBU7 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
SCHEMBL10182555 0.98 NPY5R (0.36) MAPK13MAPK12MAPK11MAPK14NPY5R
SCHEMBL2628270 0.95 SCN10A (0.36) MAPK13MAPK12MAPK11MAPK14NPY5R
SCHEMBL2625672 0.89 NPY5R (0.31) NPY5RSCN10A
SCHEMBL2628292 0.89 NPY5R (0.35) MAPK13MAPK12MAPK11MAPK14NPY5R
SCHEMBL2628220 0.87 NPY5R (0.43) NPY5RSCN10ABRAF
SCHEMBL10182642 0.87 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL2628208 0.86 MAP3K14 (0.33) MAPK13MAPK12MAPK11MAPK14NPY5R
SCHEMBL2627370 0.86 SCN10A (0.31) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL10182680 0.86 SCN10A (0.31) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL2628068 0.85 SCN10A (0.34) MAPK13MAPK12MAPK11MAPK14NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (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-20090202478-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.