SCHEMBL436907

SCHEMBL436907

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCN(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.40
CHRM1 P11229 1/20 0.40
MC4R P32245 2/20 0.38
MAOB P27338 3/20 0.38
KDM1A O60341 1/20 0.38
IGF1R P08069 1/20 0.37

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
SCHEMBL438623 0.87 GAA (0.55) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL435963 0.87 POLB (0.45) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL438819 0.85 POLB (0.44) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL438879 0.83 KDM4E (0.39) ALDH1A1L3MBTL1KDM4EGFERCYP2D6
SCHEMBL436940 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL435990 0.83 SIGMAR1 (0.43) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL436952 0.82 GAA (0.50) ALDH1A1L3MBTL1KDM4EGFEROPRM1
SCHEMBL438165 0.82 CYP1A2 (0.40) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL438868 0.82 SIGMAR1 (0.49) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL438171 0.82 KDM4E (0.38) ALDH1A1L3MBTL1KDM4EGFEROPRM1

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 5 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-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 (3 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 3345/4885ALDH1A1 340/4885
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 487/4885ALDH1A1 243/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 MEN1 2493/4885KMT2A 4194/4885ALDH1A1 466/4885

“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.