SCHEMBL22123371

SCHEMBL22123371

NCCCNC(=O)NCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.48
EPHX1 P07099 5/20 0.46
PRMT1 Q99873 1/20 0.44
ALOX15 P16050 3/20 0.39
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CASP2 P42575 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
F13A1 P00488 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 2/20 0.39
CA4 P22748 2/20 0.39

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
SCHEMBL17373907 0.95 PAOX (0.52) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL7209774 0.92 PAOX (0.58) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL18902829 0.92 EPHX1 (0.54) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL15431685 0.90 PAOX (0.61) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL15431860 0.90 EPHX1 (0.58) PAOXEPHX1PRMT1ALDH1A1
Hydrochloric Acid SCHEMBL18886318 0.90 EPHX1 (0.52) PAOXEPHX1PRMT1ALOX15CYP2C19
SCHEMBL940021 0.89 ALDH1A1 (0.46) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL7214695 0.87 PAOX (0.64) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL17379928 0.86 PAOX (0.62) PAOXEPHX1PRMT1ALOX15CA12
SCHEMBL17373962 0.86 PAOX (0.62) PAOXEPHX1PRMT1ALOX15CA12

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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PAOX 4060/4885EPHX1 3823/4885PRMT1 392/4885

“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.