SCHEMBL10095409

SCHEMBL10095409

CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.41
GRIK1 P39086 1/20 0.41
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 1/20 0.39
PTGER4 P35408 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
PFKFB2 O60825 1/20 0.38
NSD2 O96028 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
AS3MT Q9HBK9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 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
SCHEMBL10095368 0.92 KDM4E (0.41) GRIK2GRIK1AKR1C3AKR1C2ABCC8
SCHEMBL10095397 0.90 GRIK2 (0.50) GRIK2GRIK1PTGER4PFKFB2NSD2
SCHEMBL10095414 0.88 S1PR1 (0.36) GRIK2GRIK1ABCC8KCNJ11KDM4E
SCHEMBL10192312 0.87 GRIK2 (0.44) GRIK2GRIK1PTGER4PFKFB2NSD2
SCHEMBL10095421 0.86 APP (0.46) GRIK2GRIK1PTGER4ABCC8KCNJ11
SCHEMBL13152024 0.85 GRIK2 (0.40) GRIK2GRIK1AKR1C3AKR1C2PTGER4
SCHEMBL10095370 0.82 MAPT (0.41) GRIK2GRIK1PTGER4KDM4ENPSR1
SCHEMBL10097252 0.82 GRIK2 (0.58) GRIK2GRIK1AKR1C3AKR1C2PTGER4
SCHEMBL10095291 0.81 L3MBTL1 (0.46) GRIK2GRIK1PTGER4KDM4ENPSR1
SCHEMBL10095403 0.81 GRM5 (0.45) KDM4EKCNA5KCNH2NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
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
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 GRIK2 4509/4885GRIK1 4477/4885AKR1C3 712/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885AKR1C3 349/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885AKR1C3 2302/4885

“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.