SCHEMBL10095657

SCHEMBL10095657

CCn1c(-c2cccc(N)c2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.56
GRIK1 P39086 2/20 0.52
AS3MT Q9HBK9 3/20 0.46
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PFKFB2 O60825 1/20 0.42
NSD2 O96028 1/20 0.42
PFKFB1 P16118 1/20 0.42
PFKFB3 Q16875 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ADORA1 P30542 2/20 0.39
PLA2G2A P14555 1/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL10095640 0.93 GRIK2 (0.47) GRIK2GRIK1AS3MTADORA1HTT
SCHEMBL982537 0.91 GRIK2 (0.47) GRIK2GRIK1AS3MTPOLBNPSR1
SCHEMBL10095446 0.87 GRIK2 (0.62) GRIK2GRIK1AS3MTPOLBNPSR1
SCHEMBL13152432 0.85 GRIK2 (0.58) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10095637 0.85 GRIK2 (0.51) GRIK2GRIK1POLBNPSR1KDM4E
SCHEMBL10097253 0.85 GRIK2 (0.71) GRIK2GRIK1AS3MTPOLBNPSR1
SCHEMBL10095607 0.84 MAPT (0.42) GRIK2AS3MTPFKFB2NSD2PFKFB1
SCHEMBL13214673 0.81 GRIK2 (0.67) GRIK2GRIK1AS3MTPOLBNPSR1
SCHEMBL10097236 0.81 GRIK2 (0.51) GRIK2GRIK1POLBNPSR1KDM4E
SCHEMBL10095680 0.81 GRIK2 (0.49) GRIK2GRIK1AS3MTPOLBNPSR1

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 13 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 GRIK2 4509/4885GRIK1 4477/4885AS3MT 620/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885AS3MT 785/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885AS3MT 2197/4885

“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.