SCHEMBL10097253

SCHEMBL10097253

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.71
GRIK1 P39086 2/20 0.71
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGER4 P35408 1/20 0.47
KDM4E B2RXH2 3/20 0.45
MAOA P21397 4/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PFKFB2 O60825 1/20 0.42
NSD2 O96028 1/20 0.42
PFKFB1 P16118 1/20 0.42
PFKFB3 Q16875 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
AS3MT Q9HBK9 1/20 0.42
ESR1 P03372 4/20 0.41
TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL13214673 0.94 GRIK2 (0.67) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10095446 0.93 GRIK2 (0.62) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10095443 0.93 GRIK2 (0.62) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10191563 0.91 GRIK2 (0.59) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10097252 0.90 GRIK2 (0.58) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10254725 0.90 PTGER4 (0.61) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10095252 0.90 GRIK2 (0.60) GRIK2GRIK1POLBNPSR1KDM4E
SCHEMBL12408110 0.89 GRIK2 (0.57) GRIK2GRIK1PTGER4KDM4EMEN1
SCHEMBL982434 0.88 GRIK2 (0.56) GRIK2GRIK1POLBNPSR1PTGER4
SCHEMBL10095740 0.88 GRIK2 (0.56) GRIK2GRIK1POLBNPSR1PTGER4

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 4352/4885POLB 703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885POLB 2388/4885

“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.