SCHEMBL10108428

SCHEMBL10108428

N#CCCn1cnc(N=O)c1CBr

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.43
ALDH1A1 P00352 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10108425 0.85 CSNK2A1 (0.40) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10108328 0.85 CSNK2A1 (0.40) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10108424 0.85 CSNK2A1 (0.40) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10108323 0.80 CSNK2A1 (0.43) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10108330 0.72 CYP1A2 (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL10108427 0.69 MAOA (0.38) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL28794242 0.66 LMNA (0.43) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10102699 0.62 LMNA (0.44) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL13190704 0.61 CSNK2A1 (0.41) CSNK2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10108563 0.61 PSMB8 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CSNK2A1 323/4885ALDH1A1 3257/4885PDE4A 1127/4885

“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.