SCHEMBL435901

SCHEMBL435901

[CH2-][NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.54
BRD4 O60885 3/20 0.49
CREBBP Q92793 1/20 0.49
KDM4A O75164 1/20 0.45
HDAC1 Q13547 1/20 0.44
IDO1 P14902 1/20 0.43
NAMPT P43490 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
GRM2 Q14416 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 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
SCHEMBL438737 0.86 L3MBTL1 (0.51) KDM4AHDAC1NAMPTCA12CA1
SCHEMBL694491 0.83 GLS (0.56) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL7865700 0.83 GLS (0.58) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL1165088 0.83 GLS (0.55) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL13981921 0.83 GLS (0.55) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL16181822 0.83 GLS (0.55) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL30069429 0.83 GLS (0.55) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL8342682 0.83 GLS (0.55) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL30504293 0.83 HDAC1 (0.56) GLSBRD4CREBBPKDM4AHDAC1
SCHEMBL10208317 0.82 GLS (0.57) GLSBRD4CREBBPKDM4AHDAC1

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 GLS 503/4885BRD4 710/4885CREBBP 1734/4885
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 GLS 363/4885BRD4 192/4885CREBBP 1843/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 GLS 345/4885BRD4 449/4885CREBBP 1216/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 GLS 334/4885BRD4 1159/4885CREBBP 1764/4885

“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.