SCHEMBL19699607

SCHEMBL19699607

CC(C)C(=O)Nc1cncc(OCCO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
PRKD3 O94806 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
GCK P35557 1/20 0.36
CHEK1 O14757 1/20 0.36
MAPT P10636 4/20 0.36
GSK3B P49841 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
DYRK1A Q13627 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
ABL1 P00519 1/20 0.35
FFAR2 O15552 1/20 0.34

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
SCHEMBL19699593 0.93 ADORA3 (0.37) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19699474 0.86 MAPK8 (0.46) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19699572 0.84 MAPT (0.50) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19706526 0.84 MAPK8 (0.46) ADORA3ADORA2AADORA1ADORA2BMAPK8
SCHEMBL19699574 0.83 MAPT (0.37) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19699576 0.83 MAPT (0.37) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19699583 0.82 NUDT1 (0.39) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19699498 0.81 SCN10A (0.44) ADORA3ADORA2AADORA1ADORA2BCHEK1
SCHEMBL19699592 0.81 MAPK8 (0.52) ADORA3ADORA2AADORA1MAPK8MAPT
SCHEMBL19699495 0.80 PRKD3 (0.37) ADORA3ADORA2AADORA1ADORA2BPRKD3

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA3 3318/4885ADORA2A 3217/4885ADORA1 2592/4885

“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.