SCHEMBL19699517

SCHEMBL19699517

Cc1nc(-c2ccnc(NC(=O)C(C)C)c2)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.44
TYK2 P29597 1/20 0.43
GSK3B P49841 3/20 0.43
DYRK1A Q13627 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP4K1 Q92918 1/20 0.42
NR3C2 P08235 1/20 0.41
RIOK2 Q9BVS4 4/20 0.41
GSK3A P49840 2/20 0.41
MAPK10 P53779 2/20 0.41
MAPT P10636 2/20 0.40
ACVRL1 P37023 1/20 0.40
ABL1 P00519 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 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
SCHEMBL19706558 0.86 PIK3C3 (0.52) GSK3BDYRK1A
SCHEMBL19699585 0.76 GSK3B (0.48) ADORA1ADORA3ADORA2AADORA2BTYK2
SCHEMBL19728681 0.75 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2BNPC1
SCHEMBL19699521 0.74 DYRK1A (0.48) ADORA1ADORA3ADORA2ATYK2GSK3B
SCHEMBL19728654 0.74 TYK2 (0.44) ADORA1ADORA3ADORA2ATYK2GSK3B
SCHEMBL24932350 0.74 EGFR (0.61) ADORA1ADORA3ADORA2ATYK2GSK3B
SCHEMBL19699524 0.73 ADORA3 (0.50) ADORA1ADORA3ADORA2AADORA2BTYK2
SCHEMBL19699534 0.73 MAPT (0.59) TYK2NPC1RAB9ASMN1; SMN2RIOK2
SCHEMBL19699527 0.72 GSK3B (0.47) ADORA1ADORA3ADORA2AADORA2BTYK2
SCHEMBL19699511 0.72 WNT3A (0.47) TYK2GSK3BDYRK1ANPC1RAB9A

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 2592/4885ADORA3 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.