Sugi Predict

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SCHEMBL436953

SCHEMBL436953

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL435990 0.84 SIGMAR1 (0.43) L3MBTL1SIGMAR1ALDH1A1SMYD3KDM4E
SCHEMBL2608080 0.81 L3MBTL1 (0.37) L3MBTL1GRM5SMN1; SMN2RORCSLC2A1
SCHEMBL13559337 0.79 MAPK14 (0.38) L3MBTL1GRM5SMN1; SMN2RORCSLC2A1
SCHEMBL436957 0.78 MAPK14 (0.38) SIGMAR1
SCHEMBL436908 0.78 MAPK14 (0.38) SIGMAR1
SCHEMBL435963 0.77 POLB (0.45) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGFER
SCHEMBL438819 0.76 POLB (0.44) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGFER
SCHEMBL438623 0.75 GAA (0.55) L3MBTL1SIGMAR1ALDH1A1KDM4EGFER
SCHEMBL436909 0.74 CYP2D6 (0.39) L3MBTL1ALDH1A1KDM4EGFER
SCHEMBL436940 0.74 MEN1 (0.48) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGFER

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 L3MBTL1 4827/4885GRM5 2408/4885SMN1; SMN2 4272/4885
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 3952/4885GRM5 2336/4885SMN1; SMN2 2301/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 L3MBTL1 4427/4885GRM5 2618/4885SMN1; SMN2 4309/4885

“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.