SCHEMBL13559352

SCHEMBL13559352

CN[C@@H](c1ccccc1)[C@@H](C)CN1CCC[C@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
OPRK1 P41145 5/20 0.44
CYP2D6 P10635 4/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
KCNA3 P22001 1/20 0.44
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13559354 1.00 KDM4E (0.62) KDM4EALDH1A1KMT2AMEN1OPRK1
SCHEMBL16181811 0.92 KCNA3 (0.52) KDM4EOPRK1CYP2D6OPRM1OPRD1
SCHEMBL13559342 0.84 KCNA3 (0.51) KDM4EALDH1A1KMT2AMEN1OPRK1
SCHEMBL13559344 0.82 POLB (0.46) KDM4EALDH1A1OPRK1CYP2D6TSHR
SCHEMBL469063 0.82 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1OPRK1
SCHEMBL468956 0.82 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1OPRK1
SCHEMBL16181767 0.81 POLB (0.45) KDM4EALDH1A1KMT2AMEN1CYP2D6
SCHEMBL435991 0.79 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1OPRK1
SCHEMBL438701 0.79 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1OPRK1
SCHEMBL13985382 0.78 SIGMAR1 (0.50) KDM4EALDH1A1KMT2AMEN1CYP2D6

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 KDM4E 2253/4885ALDH1A1 466/4885KMT2A 4194/4885

“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.