SCHEMBL19706540

SCHEMBL19706540

CC(=O)Nc1cncc(OCCCO)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
ADORA3 P0DMS8 7/20 0.42
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ADORA1 P30542 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
BRAF P15056 3/20 0.37
PTK2 Q05397 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK9 P45984 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL19706526 0.93 MAPK8 (0.46) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19699593 0.85 ADORA3 (0.37) MAPK8ADORA3ADORA2AADORA1MAPK9
SCHEMBL19706551 0.83 MAPK8 (0.63) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19706534 0.82 MAPK8 (0.42) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19706716 0.79 MAPK8 (0.71) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19706537 0.79 MAPK8 (0.42) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19706533 0.79 MAPK8 (0.42) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19706529 0.79 MAPK8 (0.42) MAPK8ADORA3ADORA2AKDM4EHSP90AA1
SCHEMBL19736359 0.78 CYP1A2 (0.51) MAPK8ADORA3KDM4EHSP90AA1HSP90AB1
SCHEMBL19699607 0.77 ADORA3 (0.40) MAPK8ADORA3ADORA2AADORA1MAPK9

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 MAPK8 1686/4885ADORA3 3318/4885ADORA2A 3217/4885

“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.