SCHEMBL436908

SCHEMBL436908

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCN[C@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
SIGMAR1 Q99720 3/20 0.37
BIRC2 Q13490 7/20 0.36
XIAP P98170 7/20 0.36
KMT2A Q03164 1/20 0.34

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
SCHEMBL436957 1.00 MAPK14 (0.38) MAPK14SIGMAR1BIRC2XIAPKMT2A
SCHEMBL438886 0.87 SIGMAR1 (0.40) SIGMAR1KMT2A
SCHEMBL2606763 0.87 SIGMAR1 (0.40) SIGMAR1KMT2A
SCHEMBL435990 0.84 SIGMAR1 (0.43) SIGMAR1KMT2A
SCHEMBL468968 0.82 MAPK14 (0.39) MAPK14SIGMAR1BIRC2XIAPKMT2A
SCHEMBL468967 0.82 MAPK14 (0.39) MAPK14SIGMAR1BIRC2XIAPKMT2A
SCHEMBL438868 0.80 SIGMAR1 (0.49) SIGMAR1KMT2A
SCHEMBL13559369 0.80 MAPK14 (0.46) MAPK14SIGMAR1BIRC2XIAPKMT2A
SCHEMBL13559364 0.80 MAPK14 (0.46) MAPK14SIGMAR1BIRC2XIAPKMT2A
SCHEMBL438881 0.80 KCNA3 (0.51)

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 MAPK14 4270/4885SIGMAR1 386/4885BIRC2 3034/4885
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 MAPK14 3921/4885SIGMAR1 209/4885BIRC2 3516/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 MAPK14 3325/4885SIGMAR1 349/4885BIRC2 3499/4885

“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.