SCHEMBL10096383

SCHEMBL10096383

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.37
JAK1 P23458 1/20 0.37
TBK1 Q9UHD2 2/20 0.37
PDGFRB P09619 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MMP2 P08253 1/20 0.35
PFKFB3 Q16875 4/20 0.35
PFKFB1 P16118 3/20 0.35
PFKFB2 O60825 2/20 0.35
NSD2 O96028 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10096667 0.94 ESR1 (0.37) KITMMP2PFKFB3PFKFB1PFKFB2
SCHEMBL10097370 0.88 MTNR1A (0.37) JAK1MTNR1AMTNR1BLMNAMAPT
SCHEMBL981877 0.88 KIT (0.39) KITPFKFB3PFKFB1PFKFB2NSD2
SCHEMBL10096664 0.88 KCNA5 (0.44) KITJAK1TBK1PDGFRBLMNA
SCHEMBL10095715 0.87 PFKFB3 (0.42) KITPFKFB3PFKFB1PFKFB2NSD2
SCHEMBL980476 0.87 LMNA (0.46) KITJAK1LMNAMAPTTP53
SCHEMBL10095321 0.86 MTNR1A (0.47) KITMTNR1AMTNR1BPFKFB3PFKFB1
SCHEMBL10096243 0.85 KCNA5 (0.43) JAK1PDGFRBLMNAMAPT
SCHEMBL10096330 0.84 ESR1 (0.47) JAK1
SCHEMBL10096732 0.84 MAPT (0.45) LMNAMAPTTP53KMT2APOLB

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 KIT 1739/4885JAK1 2189/4885TBK1 1197/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KIT 1858/4885JAK1 1613/4885TBK1 1215/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KIT 1858/4885JAK1 1613/4885TBK1 1215/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KIT 3684/4885JAK1 2007/4885TBK1 1164/4885

“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.