SCHEMBL5494056

SCHEMBL5494056

CCCc1[nH]ncc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
PRKX P51817 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL19924464 0.85 MEN1 (0.45) ALDH1A1MEN1KMT2APLK4CHEK1
SCHEMBL18343704 0.79 BTK (0.43) ALDH1A1MEN1KMT2APLK4CHEK1
SCHEMBL3356506 0.78 KMT2A (0.62) ALDH1A1MEN1KMT2ACDK5TSHR
SCHEMBL30739210 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APLK4CHEK1
SCHEMBL30490177 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APLK4CHEK1
SCHEMBL29088699 0.71 PDPK1 (0.52) ALDH1A1MEN1KMT2APLK4CHEK1
SCHEMBL13331949 0.71 KCNH2 (0.35) HSP90AA1HCAR2
SCHEMBL5484621 0.71
SCHEMBL2409005 0.70 HSP90AA1 (0.33) ALDH1A1MEN1KMT2AHSP90AA1HCAR2
SCHEMBL25143171 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APLK4CHEK1

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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 ALDH1A1 1725/4885MEN1 2213/4885KMT2A 99/4885

“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.