SCHEMBL10096375

SCHEMBL10096375

CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCSCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
KCNA5 P22460 3/20 0.41
PDGFRB P09619 1/20 0.39
JAK1 P23458 1/20 0.38
ESR2 Q92731 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
FLT3 P36888 2/20 0.36
NTRK1 P04629 1/20 0.36
KIT P10721 1/20 0.35
EPHX2 P34913 1/20 0.35
HTR1A P08908 1/20 0.35
PFKFB2 O60825 1/20 0.35
NSD2 O96028 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 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
SCHEMBL10096330 0.93 ESR1 (0.47) ESR1KCNA5JAK1ESR2FLT3
SCHEMBL10096243 0.92 KCNA5 (0.43) ESR1KCNA5PDGFRBJAK1ESR2
SCHEMBL10096664 0.92 KCNA5 (0.44) ESR1KCNA5PDGFRBJAK1ESR2
SCHEMBL10096315 0.91 JAK1 (0.48) ESR1KCNA5PDGFRBJAK1FLT3
SCHEMBL10096742 0.90 ESR1 (0.43) ESR1KCNA5PDGFRBJAK1ESR2
SCHEMBL10097401 0.88 JAK1 (0.39) ESR1JAK1ESR2LMNAMAPT
SCHEMBL981877 0.87 KIT (0.39) ESR1LMNAMAPTKITPFKFB2
SCHEMBL10095715 0.86 PFKFB3 (0.42) ESR1LMNAMAPTKITPFKFB2
SCHEMBL980476 0.86 LMNA (0.46) JAK1LMNAMAPTKIT
SCHEMBL10096386 0.86 KIT (0.38) ESR1KCNA5JAK1LMNAMAPT

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 ESR1 2188/4885KCNA5 4454/4885PDGFRB 2519/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885KCNA5 4596/4885PDGFRB 2284/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885KCNA5 4596/4885PDGFRB 2284/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ESR1 4319/4885KCNA5 4880/4885PDGFRB 750/4885

“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.