SCHEMBL982387

SCHEMBL982387

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
GRIK2 Q13002 3/20 0.38
GRIK1 P39086 1/20 0.38
ADORA1 P30542 4/20 0.35
ADORA2A P29274 1/20 0.35
PFKFB2 O60825 1/20 0.33
NSD2 O96028 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
AS3MT Q9HBK9 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL10095288 0.88 GRIK2 (0.49) TRPA1SCN5ASCN9AGRIK2GRIK1
SCHEMBL981279 0.87 ADORA1 (0.39) GRIK2GRIK1ADORA1ADORA2APFKFB2
SCHEMBL2881346 0.87 SLC6A2 (0.37) TRPA1SCN5ASCN9AKDM4EALDH1A1
SCHEMBL980710 0.86 GRIK2 (0.52) GRIK2GRIK1ADORA1KDM4EALDH1A1
SCHEMBL982919 0.85 TDP1 (0.41) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL13152272 0.85 GRIK2 (0.39) TRPA1SCN5ASCN9AGRIK2GRIK1
SCHEMBL10095716 0.84 MAPT (0.40) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL2878944 0.84 ESR1 (0.38) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10095918 0.83 GRIK2 (0.39) GRIK2GRIK1PFKFB2NSD2PFKFB1
SCHEMBL10095456 0.83 KIF11 (0.38) GRIK2GRIK1ADORA1KDM4EALDH1A1

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 43 patents — showing the first 20. 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-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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 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 (6 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TRPA1 2497/4885SCN5A 3565/4885SCN9A 4126/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS TRPA1 2850/4885SCN5A 3682/4885SCN9A 4252/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS TRPA1 4368/4885SCN5A 4515/4885SCN9A 4858/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TRPA1 2497/4885SCN5A 3565/4885SCN9A 4126/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TRPA1 2497/4885SCN5A 3565/4885SCN9A 4126/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP TRPA1 4555/4885SCN5A 4584/4885SCN9A 4767/4885

“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.