SCHEMBL10096233

SCHEMBL10096233

CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OC)OC)cc3)n(CC)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.36
GRIK1 P39086 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
PFKFB2 O60825 1/20 0.34
NSD2 O96028 1/20 0.34
PFKFB1 P16118 1/20 0.34
PFKFB3 Q16875 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
AS3MT Q9HBK9 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 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
SCHEMBL984912 0.93 NPSR1 (0.36) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL10096236 0.92 GRIK2 (0.45) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL13198575 0.90 GRIK2 (0.43) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL2879598 0.89 ALDH1A1 (0.38) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL10096234 0.87 GRIK2 (0.44) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL13153364 0.85 GRIK2 (0.36) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL10096737 0.84 PIK3CA (0.34) ALDH1A1MAPK1MEN1KMT2AL3MBTL1
SCHEMBL10096734 0.82 KMT2A (0.49) ALDH1A1MAPK1MEN1KMT2AL3MBTL1
SCHEMBL10095605 0.82 PGR (0.45) GRIK2GRIK1ALDH1A1MAPK1MEN1
SCHEMBL10095590 0.82 CYP11B2 (0.44) GRIK2GRIK1ALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS GRIK2 3701/4885GRIK1 3372/4885ALDH1A1 563/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885ALDH1A1 1497/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885ALDH1A1 1497/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885ALDH1A1 1067/4885

“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.