SCHEMBL10096240

SCHEMBL10096240

CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OCCF)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
PFKFB2 O60825 2/20 0.40
PFKFB1 P16118 2/20 0.40
PFKFB3 Q16875 2/20 0.40
NSD2 O96028 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
AS3MT Q9HBK9 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR3 P29371 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
MGLL Q99685 3/20 0.38
ROCK2 O75116 2/20 0.38

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
SCHEMBL10096659 0.92 TP53 (0.41) MAPTTP53L3MBTL1MEN1ALDH1A1
SCHEMBL10096235 0.91 PFKFB2 (0.43) TP53PFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095718 0.90 PFKFB2 (0.43) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10095717 0.89 PFKFB2 (0.42) TP53PFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10095339 0.89 TACR3 (0.49) MAPTTP53MEN1POLBKMT2A
SCHEMBL10095719 0.88 PFKFB2 (0.44) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10097463 0.88 MAPT (0.45) MAPTTP53L3MBTL1POLBMGLL
SCHEMBL10096238 0.87 PFKFB2 (0.41) MAPTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL10096241 0.87 PFKFB2 (0.43) MAPTTP53PFKFB2PFKFB1PFKFB3
SCHEMBL10096630 0.86 PFKFB2 (0.41) TP53PFKFB2PFKFB1PFKFB3NSD2

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 11 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-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 MAPT 3547/4885TP53 1579/4885PFKFB2 3865/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885TP53 1262/4885PFKFB2 4493/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885TP53 1262/4885PFKFB2 4493/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885TP53 1710/4885PFKFB2 4202/4885

“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.