SCHEMBL10096211

SCHEMBL10096211

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 2/20 0.41
PFKFB1 P16118 2/20 0.41
PFKFB3 Q16875 2/20 0.41
NSD2 O96028 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
AS3MT Q9HBK9 1/20 0.41
KMT2A Q03164 1/20 0.38
KIT P10721 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
NPY5R Q15761 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.36
AR P10275 2/20 0.36
ABL1 P00519 1/20 0.36
RORC P51449 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
PTGER4 P35408 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
SCHEMBL10096208 0.92 PFKFB1 (0.41) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096212 0.91 PFKFB2 (0.44) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096182 0.91 PFKFB2 (0.41) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096190 0.89 POLB (0.40) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096186 0.89 LMNA (0.42) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096191 0.88 KMT2A (0.41) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096187 0.88 LMNA (0.39) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096183 0.87 PFKFB2 (0.42) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10096193 0.86 EPHX2 (0.41) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL12950228 0.86 KMT2A (0.40) KMT2AKCNQ3KCNQ2NPY5RLMNA

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.