SCHEMBL10097259

SCHEMBL10097259

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
GRIA4 P48058 4/20 0.37
GRIA2 P42262 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 1/20 0.36
S1PR1 P21453 2/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 2/20 0.34
CTSS P25774 1/20 0.34
PTGER4 P35408 1/20 0.33
RAPGEF3 O95398 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
RORA P35398 1/20 0.32

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
SCHEMBL10095456 0.89 KIF11 (0.38) KIF11KDM4EALDH1A1S1PR1HPGD
SCHEMBL10095454 0.89 AR (0.43) KIF11KDM4EALDH1A1S1PR1HTT
SCHEMBL10095459 0.87 METAP2 (0.37) KIF11KDM4EALDH1A1NPSR1S1PR1
SCHEMBL10095453 0.87 GRIK2 (0.49) KDM4EALDH1A1HTTHSD17B10GRIK1
SCHEMBL12109545 0.86 MAPT (0.40) KIF11ALDH1A1S1PR1GRIK1GRIK2
SCHEMBL10097261 0.85 AR (0.40) KIF11KDM4EALDH1A1HTTCTSK
SCHEMBL10095323 0.84 GRIK2 (0.50) KIF11GRIA4GRIA2KDM4EALDH1A1
SCHEMBL10095545 0.83 KIF11 (0.48) KIF11S1PR1
SCHEMBL10095591 0.83 KIF11 (0.44) KIF11KDM4EALDH1A1NPSR1HPGD
SCHEMBL10095546 0.83 KIF11 (0.52) KIF11S1PR1RORC

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 KIF11 3319/4885GRIA4 4236/4885GRIA2 4407/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KIF11 3790/4885GRIA4 4329/4885GRIA2 4368/4885

“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.