SCHEMBL10095618

SCHEMBL10095618

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIK2 Q13002 3/20 0.40
GRIK1 P39086 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PFKFB2 O60825 1/20 0.39
NSD2 O96028 1/20 0.39
PFKFB1 P16118 1/20 0.39
PFKFB3 Q16875 1/20 0.39
DOT1L Q8TEK3 1/20 0.39
AS3MT Q9HBK9 1/20 0.39

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
SCHEMBL10095946 0.85 ESR1 (0.46) KDM4EMAPTMAPK1GRIK2GRIK1
SCHEMBL10097703 0.85 GRIK2 (0.40) KDM4EMAPTMAPK1GRIK2GRIK1
SCHEMBL10095573 0.85 ALDH1A1 (0.43) KDM4EMAPTMAPK1L3MBTL1GRIK2
SCHEMBL10095616 0.85 CHRNA7 (0.43) KDM4EMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL10095446 0.83 GRIK2 (0.62) KDM4EMAPTGRIK2GRIK1ALDH1A1
SCHEMBL10191602 0.82 RORC (0.38) KDM4EMAPTMAPK1L3MBTL1GRIK2
SCHEMBL10095620 0.81 PGR (0.44) KDM4EMAPTMAPK1L3MBTL1PFKFB2
SCHEMBL10095619 0.81 PTGER4 (0.41) KDM4EMAPTMAPK1L3MBTL1GRIK2
SCHEMBL10095617 0.81 CYP11B2 (0.44) KDM4EMAPTMAPK1L3MBTL1PFKFB2
SCHEMBL10193331 0.80 KDM4E (0.40) KDM4EMAPTMAPK1GRIK2GRIK1

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 12 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-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-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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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 KDM4E 433/4885MAPT 3963/4885MAPK1 3303/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3703/4885MAPT 4416/4885MAPK1 4384/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KDM4E 4208/4885MAPT 4044/4885MAPK1 3869/4885

“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.