SCHEMBL2881153

SCHEMBL2881153

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.47
GRIK1 P39086 1/20 0.47
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP10 Q53GL7 3/20 0.42
PARP2 Q9UGN5 2/20 0.42
PARP1 P09874 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
CASP3 P42574 1/20 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
SCHEMBL10095740 0.92 GRIK2 (0.56) GRIK2GRIK1KDM4EPARP10PARP2
SCHEMBL2876698 0.91 PARP10 (0.47) GRIK2GRIK1KDM4EMAPK1ALDH1A1
SCHEMBL980280 0.90 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL2879121 0.89 PARP10 (0.38) GRIK2GRIK1KDM4EMAPK1ALDH1A1
SCHEMBL10095480 0.89 PARP1 (0.47) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL2881346 0.88 SLC6A2 (0.37) KDM4EALDH1A1PARP10PARP2MEN1
SCHEMBL10095252 0.88 GRIK2 (0.60) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095556 0.88 GRIK2 (0.46) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095352 0.88 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095298 0.88 GRIK2 (0.46) GRIK2GRIK1KDM4EMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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
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
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO 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 (7 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 4477/4885KDM4E 433/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885KDM4E 3703/4885

“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.