SCHEMBL10096346

SCHEMBL10096346

CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 1/20 0.43
PFKFB1 P16118 1/20 0.43
PFKFB3 Q16875 1/20 0.43
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 8/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
S1PR3 Q99500 1/20 0.36
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10096355 0.93 PFKFB2 (0.42) PFKFB2PFKFB1PFKFB3ADRB1ALDH1A1
SCHEMBL12109376 0.91 PFKFB2 (0.41) PFKFB2PFKFB1PFKFB3ADRB1ALDH1A1
SCHEMBL10096379 0.89 KDR (0.41) PFKFB2PFKFB1PFKFB3ADRB1ALDH1A1
SCHEMBL10096302 0.88 MAPT (0.43) ADRB1ALDH1A1MAPTKDM4EUSP2
SCHEMBL10096394 0.88 ALDH1A1 (0.40) ADRB1ALDH1A1MAPTKDM4EUSP2
SCHEMBL13152474 0.86 ALDH1A1 (0.40) PFKFB2PFKFB1PFKFB3ALDH1A1MAPT
SCHEMBL10096424 0.86 NSD2 (0.43) PFKFB2PFKFB1PFKFB3ALDH1A1MAPT
SCHEMBL984456 0.85 PFKFB2 (0.41) PFKFB2PFKFB1PFKFB3ADRB1MAPT
SCHEMBL10251101 0.85 ADRB1 (0.41) PFKFB2PFKFB1PFKFB3ADRB1ALDH1A1
SCHEMBL10096344 0.85 PFKFB2 (0.44) PFKFB2PFKFB1PFKFB3ALDH1A1MAPT

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 16 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-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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS PFKFB2 3865/4885PFKFB1 3840/4885PFKFB3 3779/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PFKFB2 4493/4885PFKFB1 4524/4885PFKFB3 4457/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB2 4493/4885PFKFB1 4524/4885PFKFB3 4457/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB2 4202/4885PFKFB1 4102/4885PFKFB3 4231/4885

“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.