SCHEMBL2883969

SCHEMBL2883969

CCn1c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.43
GRIK1 P39086 2/20 0.43
KDM4E B2RXH2 3/20 0.40
HTR6 P50406 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
CASP3 P42574 1/20 0.40
NCOA1 Q15788 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10096602 0.93 GRIK2 (0.43) GRIK2GRIK1KDM4EHTR6KMT2A
SCHEMBL14467982 0.85 GRIK2 (0.42) GRIK2GRIK1KDM4EHTR6KMT2A
SCHEMBL10095602 0.85 GRIK2 (0.46) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL979539 0.81 GRIK2 (0.48) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL10095601 0.81 KDM4E (0.49) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL10095252 0.80 GRIK2 (0.60) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL14466422 0.79 GRIK2 (0.48) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL979541 0.79 GRIK2 (0.46) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL10095469 0.78 GRIK2 (0.47) GRIK2GRIK1KDM4EKMT2AL3MBTL1
SCHEMBL10095868 0.78 CDC25A (0.47) GRIK2GRIK1KDM4EKMT2AMAPK1

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-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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-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 (3 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885KDM4E 4208/4885

“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.