SCHEMBL10096252

SCHEMBL10096252

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 1/20 0.41
NSD2 O96028 1/20 0.41
PFKFB1 P16118 1/20 0.41
PFKFB3 Q16875 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
AS3MT Q9HBK9 1/20 0.41
ADRB1 P08588 3/20 0.39
KDR P35968 2/20 0.38
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 1/20 0.36
RORC P51449 2/20 0.35

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
SCHEMBL10096244 0.95 PFKFB2 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096242 0.92 MAPT (0.45) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096245 0.92 PFKFB2 (0.43) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096247 0.89 PFKFB2 (0.41) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096423 0.88 PFKFB2 (0.38) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096193 0.88 EPHX2 (0.41) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10097444 0.87 HDAC1 (0.40) KDRMAPTCA12CA1CA2
SCHEMBL10096246 0.87 PFKFB2 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10095719 0.86 PFKFB2 (0.44) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10095717 0.86 PFKFB2 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L

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-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

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 3865/4885NSD2 3927/4885PFKFB1 3840/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PFKFB2 4493/4885NSD2 3223/4885PFKFB1 4524/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PFKFB2 4493/4885NSD2 3223/4885PFKFB1 4524/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB2 4202/4885NSD2 3529/4885PFKFB1 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.