SCHEMBL16682174

SCHEMBL16682174

CCCn1nc(C)c2ccc(F)cc21

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.65
ADORA2B P29275 3/20 0.65
KMO O15229 1/20 0.46
GLS O94925 1/20 0.44
ESR1 P03372 2/20 0.43
DRD2 P14416 2/20 0.41
SLC6A4 P31645 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
HASPIN Q8TF76 1/20 0.39
SLC22A12 Q96S37 4/20 0.37
ICMT O60725 1/20 0.36
ATM Q13315 1/20 0.36
SPR P35270 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL19597086 0.87 ADORA2A (0.65) ADORA2AADORA2BKMOGLSESR1
SCHEMBL17232702 0.87 ADORA2A (0.62) ADORA2AADORA2BKMOGLSESR1
SCHEMBL16682138 0.83 HASPIN (0.50) ADORA2AADORA2BKMOGLSESR1
SCHEMBL16682146 0.83 KMO (0.46) ADORA2AADORA2BKMOGLSESR1
SCHEMBL14928200 0.81 ADORA2A (0.65) ADORA2AADORA2BKMOGLSESR1
SCHEMBL16682190 0.80 KMO (0.43) ADORA2AADORA2BKMOGLSESR1
Ammonia Solution, Strong SCHEMBL905695 0.79 ADORA2A (0.72) ADORA2AADORA2BKMOGLSESR1
SCHEMBL13106177 0.78 ADORA2A (0.59) ADORA2AADORA2BKMOGLSESR1
Ammonia Solution, Strong SCHEMBL905842 0.77 ADORA2A (0.59) ADORA2AADORA2BKMOGLSESR1
SCHEMBL19006032 0.77 ADORA2A (0.51) ADORA2AADORA2BGLSKDM4CICMT

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C ADORA2A 415/4885ADORA2B 611/4885KMO 3195/4885

“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.