SCHEMBL983849

SCHEMBL983849

CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PFKFB2 O60825 2/20 0.39
PFKFB1 P16118 2/20 0.39
PFKFB3 Q16875 2/20 0.39
NSD2 O96028 1/20 0.39
DOT1L Q8TEK3 1/20 0.39
AS3MT Q9HBK9 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ADRB1 P08588 1/20 0.37
KDR P35968 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
ABCB1 P08183 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
MET P08581 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL10096423 0.95 PFKFB2 (0.38) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096191 0.90 KMT2A (0.41) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10192686 0.90 GRIK2 (0.42) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095898 0.90 NSD2 (0.41) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10096426 0.90 PFKFB2 (0.38) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10096421 0.89 PFKFB2 (0.40) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10096244 0.88 PFKFB2 (0.42) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL980806 0.87 PFKFB2 (0.41) KDM4EPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL12109162 0.86 KMT2A (0.39) KDM4EMEN1KMT2AKDRCYP1A2
SCHEMBL10096429 0.86 PFKFB2 (0.39) KDM4EPFKFB2PFKFB1PFKFB3NSD2

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 32 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-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-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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 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
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 (5 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 KDM4E 4020/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KDM4E 3422/4885PFKFB2 3865/4885PFKFB1 3840/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KDM4E 4208/4885PFKFB2 4202/4885PFKFB1 4102/4885

“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.