SCHEMBL84065

SCHEMBL84065

CC(C)c1ccnc(NCCO)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
EIF2AK2 P19525 3/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
FLT3 P36888 3/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
HRH4 Q9H3N8 4/20 0.38
TNF P01375 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 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
SCHEMBL13484501 0.90 NUDT1 (0.45) MAPK9MAPK10MAPK1FLT3HRH4
SCHEMBL84398 0.85 ACACB (0.42) MAPK9MAPK10HRH4HTR7MERTK
SCHEMBL12986127 0.83 CXCR4 (0.50) MAPK9MAPK10HRH4CDK2CDK5
SCHEMBL13384588 0.82 HRH4 (0.52) FLT3HRH4HTR7TYRO3MERTK
SCHEMBL83989 0.81 HRH4 (0.36) MAPK9MAPK10MEN1MAPK1KMT2A
SCHEMBL84026 0.81 ACACB (0.40) MKNK1GAAHRH4HTR7ALDH1A1
SCHEMBL84455 0.81 MKNK1 (0.48) MAPK9EIF2AK2MKNK1MKNK2CSNK1D
SCHEMBL12986130 0.81 DNM2 (0.53) MKNK1MKNK2HRH4CDK2CDK5
SCHEMBL84366 0.80 CYP1A2 (0.44) MEN1MAPK1KMT2AHRH4CLK4
SCHEMBL84443 0.80 HRH4 (0.44) MAPK10MKNK1MKNK2FLT3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 US disclosed
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 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 (6 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPK9 4217/4885MAPK10 4512/4885EIF2AK2 1773/4885
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists CCR2, CCR1, CCR5 MAPK9 1784/4885MAPK10 2350/4885EIF2AK2 3283/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPK9 4217/4885MAPK10 4512/4885EIF2AK2 1773/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK9 425/4885MAPK10 311/4885EIF2AK2 1680/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK9 220/4885MAPK10 223/4885EIF2AK2 1666/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPK9 4217/4885MAPK10 4512/4885EIF2AK2 1773/4885

“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.