SCHEMBL13635780

SCHEMBL13635780

Fc1cc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)ccc1-c1cnc(C2CCCN2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
KCNH2 Q12809 5/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
SSTR3 P32745 5/20 0.38
PRCP P42785 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
SCN3A Q9NY46 2/20 0.34
HPGDS O60760 1/20 0.34
SCN9A Q15858 1/20 0.34
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 2/20 0.34
SSTR5 P35346 1/20 0.34

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
SCHEMBL12175283 1.00 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13635781 0.96 KCNH2 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL12175132 0.96 KCNH2 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
Acetic Acid SCHEMBL1746999 0.93 PRCP (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13635783 0.90 HPGDS (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL691306 0.90 HPGDS (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL13635782 0.89 SCN10A (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1746138 0.89 SCN10A (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL18815721 0.86 KCNH2 (0.46) KCNH2SCN10ASSTR3ALOX5APFEN1
SCHEMBL18815720 0.86 KCNH2 (0.46) KCNH2SCN10ASSTR3ALOX5APFEN1

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 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.