SCHEMBL10097252

SCHEMBL10097252

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.58
GRIK1 P39086 1/20 0.58
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
PTGER4 P35408 1/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KDM4E B2RXH2 3/20 0.40
AKR1C3 P42330 3/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
AKR1C2 P52895 1/20 0.39
PGR P06401 3/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
PFKFB2 O60825 1/20 0.38
NSD2 O96028 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
SCHEMBL10097285 0.91 GRIK2 (0.49) GRIK2GRIK1NPSR1ABCC8KCNJ11
SCHEMBL10097253 0.90 GRIK2 (0.71) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL10095453 0.87 GRIK2 (0.49) GRIK2GRIK1KDM4EKCNA5KCNH2
SCHEMBL13214673 0.86 GRIK2 (0.67) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL10095443 0.85 GRIK2 (0.62) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL10095446 0.85 GRIK2 (0.62) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL10191563 0.83 GRIK2 (0.59) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL10254725 0.82 PTGER4 (0.61) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL10095409 0.82 GRIK2 (0.41) GRIK2GRIK1NPSR1POLBPTGER4
SCHEMBL12408110 0.81 GRIK2 (0.57) GRIK2GRIK1PTGER4KDM4EPFKFB2

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 4352/4885NPSR1 1853/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885NPSR1 2722/4885

“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.