SCHEMBL10097703

SCHEMBL10097703

CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(I)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.40
GRIK1 P39086 1/20 0.40
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 8/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AS3MT Q9HBK9 2/20 0.36
PFKFB2 O60825 1/20 0.36
NSD2 O96028 1/20 0.36
PFKFB1 P16118 1/20 0.36
PFKFB3 Q16875 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
LMNA P02545 2/20 0.34

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
SCHEMBL10095573 0.85 ALDH1A1 (0.43) GRIK2GRIK1KDM4EALDH1A1HPGD
SCHEMBL10095618 0.85 KDM4E (0.41) GRIK2GRIK1KDM4EALDH1A1HPGD
SCHEMBL10095946 0.85 ESR1 (0.46) GRIK2GRIK1KDM4EALDH1A1HPGD
SCHEMBL10095446 0.83 GRIK2 (0.62) GRIK2GRIK1KDM4EALDH1A1MAPT
SCHEMBL10097247 0.81 PGR (0.44) GRIK2GRIK1ALDH1A1AS3MTPFKFB2
SCHEMBL10193331 0.80 KDM4E (0.40) GRIK2GRIK1KDM4EALDH1A1HPGD
SCHEMBL10095637 0.78 GRIK2 (0.51) GRIK2GRIK1KDM4EHPGDMAPT
SCHEMBL12334234 0.78 PGR (0.46) GRIK2GRIK1KDM4EMAPK1AS3MT
SCHEMBL2881906 0.78 KDM4E (0.41) GRIK2GRIK1KDM4EALDH1A1HPGD
SCHEMBL10096216 0.77 AS3MT (0.61) GRIK2GRIK1MAPTMEN1KMT2A

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 1 patent. 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

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-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.