SCHEMBL19699593

SCHEMBL19699593

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRKD3 O94806 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.35
GCK P35557 2/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
GSK3B P49841 2/20 0.34
FFAR2 O15552 1/20 0.34
NPC1 O15118 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
SCHEMBL19699607 0.93 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL19706540 0.85 MAPK8 (0.44) ADORA3ADORA2AADORA1MAPK8MAPK9
SCHEMBL19699474 0.85 MAPK8 (0.46) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL19699572 0.83 MAPT (0.50) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL19699576 0.82 MAPT (0.37) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL19699574 0.82 MAPT (0.37) ADORA3ADORA2AADORA1ADORA2BPRKD3
SCHEMBL20733204 0.81 MAPK8 (0.51) ADORA3ADORA2AADORA1SMN1; SMN2MAPK8
SCHEMBL19699583 0.81 NUDT1 (0.39) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL19699498 0.80 SCN10A (0.44) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL19699495 0.79 PRKD3 (0.37) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2

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 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.