SCHEMBL8199652

SCHEMBL8199652

CCOC(=O)c1c(N)sc2c1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
ADORA1 P30542 7/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 7/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.56
ALOX15 P16050 3/20 0.56
PDE4D Q08499 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 1/20 0.48
GRM6 O15303 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL937821 0.88 ADORA1 (0.65) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL7001450 0.83 KMT2A (0.61) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL7512927 0.81 GAA (0.53) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL7681433 0.80 MEN1 (0.51) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL14072069 0.80 MAPT (0.56) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL18000059 0.79 ADORA1 (0.81) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL19475110 0.78 MAPT (0.72) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL6992785 0.78 MAPT (0.63) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL970355 0.77 ADORA1 (0.83) MAPTADORA1KMT2AMEN1LMNA
SCHEMBL14234268 0.77 ADORA1 (0.84) MAPTADORA1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 US disclosed
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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 (5 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-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPT 1832/4885ADORA1 3636/4885KMT2A 653/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 MAPT 3878/4885ADORA1 2687/4885KMT2A 1353/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 MAPT 3878/4885ADORA1 2687/4885KMT2A 1353/4885
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPT 1832/4885ADORA1 3636/4885KMT2A 653/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 MAPT 3878/4885ADORA1 2687/4885KMT2A 1353/4885

“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.