SCHEMBL13635782

SCHEMBL13635782

Fc1cc(-c2cnc(C3CCCN3)[nH]2)c(F)cc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.40
KCNH2 Q12809 6/20 0.38
SSTR3 P32745 6/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SSTR5 P35346 1/20 0.37
HPGDS O60760 1/20 0.35
SCN3A Q9NY46 2/20 0.35
SCN9A Q15858 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL1746138 1.00 SCN10A (0.40) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL12175283 0.89 MAPK13 (0.40) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL13635780 0.89 MAPK13 (0.40) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL13635781 0.88 KCNH2 (0.41) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL12175132 0.88 KCNH2 (0.41) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL9280936 0.85 MAPK13 (0.47) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL9284198 0.85 MAPK13 (0.47) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL15848551 0.84 SSTR3 (0.50) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL15848552 0.84 SSTR3 (0.50) SCN10AKCNH2SSTR3MAPK13MAPK12
SCHEMBL2775603 0.84 MAPK13 (0.46) SCN10AKCNH2SSTR3MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SCN10A 4625/4885KCNH2 4523/4885SSTR3 4672/4885

“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.