SCHEMBL8224937

SCHEMBL8224937

COc1nc2ccccc2nc1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
NPY5R Q15761 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.47
KDM1A O60341 1/20 0.45
RAD52 P43351 1/20 0.45
GFER P55789 1/20 0.45
PYGM P11217 1/20 0.45
DHFR P00374 1/20 0.45
PIK3CA P42336 1/20 0.45
EGFR P00533 3/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL15958634 0.88 MAPT (0.72) MAPTNPY5RKMT2AMEN1LMNA
SCHEMBL15958633 0.84 MAPT (0.60) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL8380443 0.81 KDM4E (0.59) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL7917910 0.81 NPSR1 (0.45) MAPTNPY5RKMT2AMEN1LMNA
SCHEMBL12669852 0.81 MEN1 (0.45) MAPTNPY5RKMT2AMEN1LMNA
SCHEMBL13903883 0.80 MEN1 (0.69) MAPTNPY5RKMT2AMEN1LMNA
SCHEMBL15958648 0.78 POLB (0.56) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL10844115 0.78 KDM4E (0.49) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL21499831 0.77 GAA (0.46) MAPTNPY5RKMT2AMEN1LMNA
SCHEMBL8224536 0.77 GRM5 (0.47) MAPTKMT2AMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO 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-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 MAPT 4162/4885NPY5R 4437/4885KMT2A 2836/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC MAPT 4393/4885NPY5R 4209/4885KMT2A 2609/4885

“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.