SCHEMBL19699609

SCHEMBL19699609

CC(C)C(=O)Nc1nccc(-c2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.73
ADORA2A P29274 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
MAPK8 P45983 3/20 0.56
MAPK10 P53779 1/20 0.56
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CAMK2D Q13557 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NOS1 P29475 1/20 0.50
CDC7 O00311 1/20 0.50
CAMKK2 Q96RR4 3/20 0.49
PIK3CG P48736 2/20 0.49
GSK3B P49841 2/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL14705835 0.87 ABL1 (0.58) ADORA1
SCHEMBL19706542 0.86 ADORA1 (0.60) ADORA1ADORA2AADORA3MAPK8MAPK10
SCHEMBL19706531 0.84 NPC1 (0.71) ADORA1ADORA2AADORA3MAPK8MAPK10
SCHEMBL6502989 0.84 ADORA1 (1.00) ADORA1ADORA2AADORA3NOS1
SCHEMBL5470852 0.80 ADORA1 (0.69) ADORA1ADORA2AADORA3MAPK8MAPK10
SCHEMBL19699600 0.78 MKNK1 (0.55) ADORA1JAK2JAK3CDC7
SCHEMBL27342102 0.77 ADORA1 (0.65) ADORA1ADORA2AADORA3NPC1RAB9A
SCHEMBL22186399 0.76 KDM4E (0.65) ADORA1ADORA2AADORA3NPC1RAB9A
SCHEMBL29091384 0.76 MAPK8 (0.56) ADORA2AMAPK8MAPK10JAK2JAK3
SCHEMBL19699460 0.76 L3MBTL1 (0.51) ADORA1NPC1RAB9AMEN1KMT2A

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 ADORA1 2592/4885ADORA2A 3217/4885ADORA3 3318/4885

“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.