SCHEMBL19699595

SCHEMBL19699595

CC(C)C(=O)Nc1nccc(-c2cnco2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
ADORA1 P30542 2/20 0.44
AAK1 Q2M2I8 12/20 0.44
ADORA2B P29275 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SYK P43405 1/20 0.39
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL19699596 0.79 CDC7 (0.46) CDC7ADORA1AAK1ADORA2BADORA3
SCHEMBL14705835 0.76 ABL1 (0.58) ADORA1
SCHEMBL19699524 0.75 ADORA3 (0.50) ADORA1AAK1ADORA2BADORA3ADORA2A
SCHEMBL19699609 0.73 ADORA1 (0.73) CDC7ADORA1ADORA3ADORA2ANPC1
SCHEMBL3433303 0.70 HSP90AA1 (0.49) CDC7ADORA2ANPC1RAB9ASYK
SCHEMBL19699460 0.70 L3MBTL1 (0.51) CDC7ADORA1NPC1RAB9A
SCHEMBL19699600 0.70 MKNK1 (0.55) CDC7ADORA1
SCHEMBL17491530 0.69 SMN1; SMN2 (0.42) ADORA1AAK1ADORA2BADORA3ADORA2A
SCHEMBL20832586 0.69 CDC7 (0.46) CDC7ADORA1AAK1ADORA2BADORA3
SCHEMBL19531641 0.68 BRAF (0.56) AAK1NPC1RAB9A

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 CDC7 899/4885ADORA1 2592/4885AAK1 2765/4885

“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.