SCHEMBL438737

SCHEMBL438737

[CH2-][NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
NAMPT P43490 2/20 0.49
GAA P10253 1/20 0.49
HDAC1 Q13547 3/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
SDCBP O00560 1/20 0.45
SDC2 P34741 1/20 0.45
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4A O75164 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
GRM2 Q14416 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL3180689 0.87 L3MBTL1 (0.61) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL435901 0.86 GLS (0.54) L3MBTL1NAMPTHDAC1CA1KDM4A
SCHEMBL506202 0.81 GAA (0.57) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL5796279 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL8372079 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL1164796 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL15259134 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL12685839 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL2567630 0.80 HDAC1 (0.57) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL1691047 0.80 HDAC1 (0.67) L3MBTL1NAMPTGAAHDAC1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 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-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 L3MBTL1 4827/4885NAMPT 706/4885GAA 1308/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 L3MBTL1 3952/4885NAMPT 1719/4885GAA 1796/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 L3MBTL1 4427/4885NAMPT 1158/4885GAA 3504/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 L3MBTL1 4142/4885NAMPT 1394/4885GAA 3271/4885

“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.