SCHEMBL19699583

SCHEMBL19699583

CC(C)C(=O)Nc1cncc(OCC(C)(C)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.39
MAPT P10636 5/20 0.37
GSK3B P49841 4/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
PRKD3 O94806 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CHEK1 O14757 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK2 P24941 2/20 0.33
CDK5 Q00535 2/20 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
SCHEMBL19706529 0.86 MAPK8 (0.42) NUDT1ADORA3ADORA2AADORA1MAPK8
SCHEMBL19699554 0.82 MAPK8 (0.48) NUDT1MAPTGSK3BADORA3ADORA2A
SCHEMBL19699607 0.82 ADORA3 (0.40) MAPTGSK3BADORA3ADORA2AADORA2B
SCHEMBL19699474 0.81 MAPK8 (0.46) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL19699593 0.81 ADORA3 (0.37) MAPTGSK3BADORA3ADORA2AADORA2B
SCHEMBL19699572 0.80 MAPT (0.50) MAPTGSK3BADORA3ADORA2AADORA2B
SCHEMBL19699576 0.79 MAPT (0.37) MAPTGSK3BADORA3ADORA2AADORA2B
SCHEMBL19699574 0.79 MAPT (0.37) MAPTGSK3BADORA3ADORA2AADORA2B
SCHEMBL19699606 0.78 MAPT (0.39) NUDT1MAPTGSK3BADORA3ADORA2A
SCHEMBL19699498 0.77 SCN10A (0.44) MAPTADORA3ADORA2AADORA2BADORA1

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
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 NUDT1 435/4885MAPT 306/4885GSK3B 2322/4885

“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.