SCHEMBL446950

SCHEMBL446950

NC1(c2cccc(F)c2OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.53
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
HTR1A P08908 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48

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
SCHEMBL435851 0.76 MAPT (0.49) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL3407002 0.74 KDM1A (0.57) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL23232571 0.74 KRAS (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL14882717 0.73 KDM1A (0.60) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL1766179 0.73 MAPT (0.56) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL12842316 0.73 KDM1A (0.55) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL448316 0.72 L3MBTL1 (0.44) KDM1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5020031 0.71 KDM1A (0.54) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL23258887 0.71 KDM1A (0.54) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL1018512 0.71 KDM1A (0.54) KDM1AMAOBMAOAHTR1ASLC6A2

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 10 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
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP 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
EP-2170848-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES AstraZeneca AB (SE) 2010-04-07 EP disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 WO 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 KDM1A 2265/4885MAOB 277/4885MAOA 553/4885
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 KDM1A 259/4885MAOB 314/4885MAOA 531/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 KDM1A 2415/4885MAOB 954/4885MAOA 2224/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 KDM1A 2940/4885MAOB 1520/4885MAOA 2893/4885

“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.