SCHEMBL25974199

SCHEMBL25974199

CC(C)(C)OC(=O)NCCNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 7/20 0.60
OPRK1 P41145 2/20 0.58
PAOX Q6QHF9 2/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2B P41595 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SMOX Q9NWM0 1/20 0.58
TP53 P04637 6/20 0.58
HPGD P15428 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.57
MAPT P10636 4/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CHRM4 P08173 1/20 0.53

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
SCHEMBL25974169 0.96 OPRK1 (0.61) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25974223 0.89 TP53 (0.53) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25974195 0.85 OPRK1 (0.58) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25970334 0.82 OPRK1 (0.66) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25970464 0.81 OPRK1 (0.62) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25970331 0.81 OPRK1 (0.68) KDM4EALDH1A1OPRK1PAOXADRA2A
Hydrochloric Acid SCHEMBL30516229 0.81 OPRK1 (0.64) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL1719216 0.81 OPRK1 (0.64) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25969026 0.81 OPRK1 (0.67) KDM4EALDH1A1OPRK1PAOXADRA2A
SCHEMBL25970233 0.80 OPRK1 (0.69) KDM4EALDH1A1OPRK1PAOXADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250161307-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2025-05-22 US disclosed
WO-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 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-20250161307-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE SMOX, SRM, SMS KDM4E 1480/4885ALDH1A1 160/4885OPRK1 2700/4885

“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.