SCHEMBL14449255

SCHEMBL14449255

CC(=O)Nc1nc(Cl)c(Cc2ccccc2)c(N2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
BRS3 P32247 1/20 0.43
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 2/20 0.40
APP P05067 1/20 0.40
CHRM3 P20309 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL5477103 0.82 ALDH1A1 (0.47) ALDH1A1BRS3PDE4APDE4BPDE4C
SCHEMBL5477311 0.78 LMNA (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5475186 0.78 HTT (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL14449254 0.76 PDE4A (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5475623 0.75 LMNA (0.57) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5481459 0.74 HTT (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5475680 0.74 LMNA (0.56) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5707141 0.74 HTT (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL27670601 0.74 HTT (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL28762091 0.73 MEN1 (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D

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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides DPYD, DHFR, TYMP ALDH1A1 697/4885BRS3 1731/4885PDE4A 1087/4885

“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.