SCHEMBL10095640

SCHEMBL10095640

CCn1c(-c2cccc(N)c2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.47
GRIK1 P39086 1/20 0.46
ADORA1 P30542 3/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KIT P10721 1/20 0.40
AS3MT Q9HBK9 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAP4K4 O95819 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
ADORA3 P0DMS8 1/20 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
SCHEMBL10095637 0.93 GRIK2 (0.51) GRIK2GRIK1ADORA1GRIA2GRIA4
SCHEMBL10095657 0.93 GRIK2 (0.56) GRIK2GRIK1ADORA1ADORA2AADORA2B
SCHEMBL982537 0.86 GRIK2 (0.47) GRIK2GRIK1ADORA1ADORA2AADORA2B
SCHEMBL13151676 0.86 GRIK2 (0.49) GRIK2GRIK1HPGDHTTKIT
SCHEMBL14204861 0.84 GRIK2 (0.49) GRIK2GRIK1ADORA1GRIA2GRIA4
SCHEMBL10095638 0.84 GRIK2 (0.47) GRIK2GRIK1GRIA2GRIA4
SCHEMBL10095446 0.82 GRIK2 (0.62) GRIK2GRIK1ADORA1AS3MTMAPT
SCHEMBL10095607 0.81 MAPT (0.42) GRIK2ADORA1ADORA2AADORA2BHPGD
SCHEMBL10097236 0.81 GRIK2 (0.51) GRIK2GRIK1ADORA1GRIA2GRIA4
SCHEMBL10095639 0.81 GRIK2 (0.45) GRIK2GRIK1ADORA1GRIA2GRIA4

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 11 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-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 4477/4885ADORA1 1501/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885ADORA1 1683/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885ADORA1 3987/4885

“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.