SCHEMBL10097244

SCHEMBL10097244

CCn1c(-c2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.50
GRIK1 P39086 1/20 0.50
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.44
CASP3 P42574 1/20 0.44
NCOA1 Q15788 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10095252 0.91 GRIK2 (0.60) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL10095399 0.87 GRIK2 (0.45) GRIK2GRIK1GABRA1GABRG2GABRB3
SCHEMBL983249 0.87 GRIK2 (0.45) GRIK2GRIK1GABRA1GABRG2GABRB3
SCHEMBL10097238 0.87 GRIK2 (0.56) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL12334970 0.86 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL10095297 0.86 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL10097237 0.86 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL10095470 0.86 GRIK2 (0.59) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL980710 0.86 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPTHTT
SCHEMBL979587 0.86 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885GABRA1 3943/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885GABRA1 3578/4885

“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.