SCHEMBL19699466

SCHEMBL19699466

CC(C)C(=O)Nc1cncc(C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
JAK2 O60674 5/20 0.38
JAK1 P23458 5/20 0.38
JAK3 P52333 5/20 0.38
ADORA2B P29275 1/20 0.37
BRAF P15056 1/20 0.36
CDK2 P24941 4/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 3/20 0.35
CYP2C19 P33261 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAP4K1 Q92918 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK5 Q00535 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
SCHEMBL19706553 0.83 GLS (0.47) ADORA3ADORA1ADORA2AADORA2BBRAF
SCHEMBL19699500 0.77 ALDH1A1 (0.40) ADORA3ADORA1ADORA2AJAK2JAK1
SCHEMBL19699490 0.76 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2BCDK2
SCHEMBL25954768 0.74 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2BCDK2
SCHEMBL19699477 0.74 FFAR2 (0.42) ADORA3ADORA1ADORA2AADORA2BCDK2
SCHEMBL15627411 0.74 CCNE1 (0.41) ADORA3ADORA1ADORA2AADORA2BCDK2
SCHEMBL19699498 0.72 SCN10A (0.44) ADORA3ADORA1ADORA2AADORA2BDYRK1A
SCHEMBL19699481 0.72 PRKD3 (0.40) ADORA3ADORA1ADORA2AADORA2BCDK2
SCHEMBL19699558 0.71 CHEK1 (0.41) ADORA3ADORA1ADORA2AADORA2BCDK2
SCHEMBL5513655 0.71 XIAP (0.42) ADORA3ADORA1ADORA2ABRAFCDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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 (2 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 3318/4885ADORA1 2592/4885ADORA2A 3217/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA3 3249/4885ADORA1 2574/4885ADORA2A 3184/4885

“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.