SCHEMBL10249797

SCHEMBL10249797

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.46
GRIK1 P39086 1/20 0.46
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA1 Q15788 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DYRK1A Q13627 4/20 0.39
ESR1 P03372 4/20 0.37

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
SCHEMBL14204670 0.88 GRIK2 (0.44) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL984730 0.87 GRIK2 (0.49) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL982491 0.87 GRIK2 (0.49) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL981921 0.86 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10252982 0.86 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL979769 0.86 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095297 0.86 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095252 0.86 GRIK2 (0.60) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL13198561 0.85 GRIK2 (0.47) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095458 0.84 GRIK2 (0.46) GRIK2GRIK1KDM4EMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 4352/4885KDM4E 3703/4885

“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.