SCHEMBL435975

SCHEMBL435975

[CH2-][NH2+][C@@H](c1cccc2ccccc12)[C@@H](C)CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A9 P48067 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HTR7 P34969 3/20 0.35
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35

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
SCHEMBL436874 0.89 CYP1A2 (0.46) MEN1KMT2AL3MBTL1TDP1KDM4E
SCHEMBL2608087 0.80 SLC6A9 (0.41) MEN1KMT2ASLC6A9L3MBTL1TSHR
SCHEMBL435963 0.77 POLB (0.45) MEN1KMT2AL3MBTL1TSHRKDM4E
SCHEMBL13559358 0.77 SLC6A9 (0.42) MEN1KMT2ASLC6A9L3MBTL1TSHR
SCHEMBL438819 0.76 POLB (0.44) MEN1KMT2AL3MBTL1TSHRKDM4E
SCHEMBL12434732 0.73 L3MBTL1 (0.56) SLC6A9L3MBTL1TSHRTDP1KDM4E
SCHEMBL7193788 0.73 L3MBTL1 (0.56) SLC6A9L3MBTL1TSHRTDP1KDM4E
SCHEMBL12434733 0.70 SLC6A9 (0.44) MEN1KMT2ASLC6A9L3MBTL1TDP1
SCHEMBL2608044 0.68 CYP1A2 (0.48) MEN1KMT2AL3MBTL1TDP1KDM4E
SCHEMBL436952 0.68 GAA (0.50) L3MBTL1KDM4EALDH1A1GAAPOLB

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 6 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-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 MEN1 1541/4885KMT2A 3345/4885SLC6A9 4719/4885
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 MEN1 3120/4885KMT2A 487/4885SLC6A9 3849/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 MEN1 2493/4885KMT2A 4194/4885SLC6A9 4749/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 MEN1 2064/4885KMT2A 3987/4885SLC6A9 3891/4885

“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.