SCHEMBL10096247

SCHEMBL10096247

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 3/20 0.41
PFKFB1 P16118 3/20 0.41
PFKFB3 Q16875 3/20 0.41
AS3MT Q9HBK9 3/20 0.41
NSD2 O96028 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
ALDH1A1 P00352 2/20 0.36
ADRB1 P08588 2/20 0.36
HPGD P15428 2/20 0.35
RORC P51449 4/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
POLB P06746 2/20 0.33
ESR1 P03372 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 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
SCHEMBL10096245 0.92 PFKFB2 (0.43) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10096244 0.90 PFKFB2 (0.42) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10096252 0.89 PFKFB2 (0.41) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10096426 0.88 PFKFB2 (0.38) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10097408 0.87 ALDH1A1 (0.38) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10096246 0.87 PFKFB2 (0.42) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10095719 0.86 PFKFB2 (0.44) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10096413 0.86 EPHX2 (0.46)
SCHEMBL10096235 0.85 PFKFB2 (0.43) PFKFB2PFKFB1PFKFB3AS3MTNSD2
SCHEMBL10095718 0.85 PFKFB2 (0.43) PFKFB2PFKFB1PFKFB3AS3MTNSD2

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 13 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-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-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-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
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (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.