SCHEMBL10129558

SCHEMBL10129558

CCc1ccc2ccc(NC(C)=O)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTK2 Q05397 1/20 0.40
MAPT P10636 2/20 0.39
ADORA3 P0DMS8 6/20 0.39
ADORA1 P30542 2/20 0.39
PARP1 P09874 1/20 0.39
ADORA2B P29275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
PIK3CA P42336 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL13175197 0.79 KDM4E (0.45) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL7895323 0.79 MAPK8 (0.59) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL11711087 0.78 PTK2 (0.49) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL14453104 0.77 MAPK8 (0.40) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL4069156 0.75 KDM4E (0.41) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL29951716 0.75 ALDH1A1 (0.44) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL11486599 0.73 KDM4E (0.51) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL14642747 0.72 KDM4E (0.44) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL12513100 0.72 MAPK8 (0.47) MAPK8KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL9651921 0.71 PGK1 (0.43) KDM4EPTK2MAPTNPC1RAB9A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
EP-2216407-B1 Therapeutic compositions ALNYLAM PHARMACEUTICALS INC (US) 2016-01-13 EP disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
US-8344125-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2012-08-23 US disclosed
US-20120107272-A1 SYNTHETIC METHODS AND DERIVATIVES OF TRIPHOSPHATE OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110201798-A1 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2011-08-18 US disclosed
US-20110166198-A1 RNA COMPOSITIONS FOR MODULATING IMMUNE RESPONSE ALNYLAM PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110092565-A1 METHOD OF TREATING NEURODEGENERATIVE DISEASE ALNYLAM PHARMACEUTICALS, INC. (US) 2011-04-21 US disclosed
US-20110054160-A1 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2011-03-03 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2010-10-21 US disclosed
US-20100179309-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-07-15 US disclosed
US-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-7595306-B2 Method of treating neurodegenerative disease NATIONAL INSTITUTE OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-29 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070161595-A1 Method of treating neurodegenerative disease MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-07-12 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 (13 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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B MAPK8 3195/4885KDM4E 3507/4885LMNA 3431/4885
US-20110054160-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 MAPK8 3462/4885KDM4E 3864/4885LMNA 747/4885
US-20110201798-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 MAPK8 3462/4885KDM4E 3864/4885LMNA 747/4885
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA MAPK8 4179/4885KDM4E 4076/4885LMNA 34/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MAPK8 4213/4885KDM4E 4097/4885LMNA 56/4885
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA MAPK8 3833/4885KDM4E 2182/4885LMNA 3840/4885
US-20110166198-A1 RNA COMPOSITIONS FOR MODULATING IMMUNE RESPONSE EIF2AK2, IRF3, NSUN2 MAPK8 2689/4885KDM4E 2930/4885LMNA 1756/4885
US-20070161595-A1 Method of treating neurodegenerative disease SNCA, PARK7, NLN MAPK8 4065/4885KDM4E 3524/4885LMNA 1653/4885
US-20100179309-A1 MODIFIED iRNA AGENTS HNRNPA0, HNRNPA1, SNRPA MAPK8 3564/4885KDM4E 4093/4885LMNA 83/4885
US-20120107272-A1 SYNTHETIC METHODS AND DERIVATIVES OF TRIPHOSPHATE OLIGONUCLEOTIDES IFNAR1, DDX18, STING1 MAPK8 1376/4885KDM4E 3656/4885LMNA 4707/4885
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA MAPK8 4179/4885KDM4E 4076/4885LMNA 34/4885
US-20110092565-A1 METHOD OF TREATING NEURODEGENERATIVE DISEASE SNCA, PARK7, NLN MAPK8 4065/4885KDM4E 3524/4885LMNA 1653/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 MAPK8 3493/4885KDM4E 3196/4885LMNA 111/4885

“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.