SCHEMBL19728654

SCHEMBL19728654

CC(C)C(=O)Nc1cc(-c2cc[nH]n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
PIK3C3 Q8NEB9 3/20 0.43
BUB1 O43683 3/20 0.42
GSK3B P49841 6/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C2 P08235 1/20 0.40
ACVRL1 P37023 1/20 0.39
RIOK2 Q9BVS4 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
SCHEMBL19736122 0.85 PIK3C3 (0.57) PIK3C3
SCHEMBL19699511 0.79 WNT3A (0.47) TYK2PIK3C3GSK3BMAPTNPC1
SCHEMBL19699509 0.77 TYK2 (0.43) TYK2PIK3C3BUB1GSK3BMAPT
SCHEMBL19699521 0.76 DYRK1A (0.48) TYK2ADORA3ADORA1ADORA2APIK3C3
SCHEMBL24932350 0.76 EGFR (0.61) TYK2ADORA3ADORA1ADORA2ABUB1
SCHEMBL19728659 0.75 KDM4D (0.55) TYK2BUB1GSK3BMAPTNPC1
SCHEMBL3423922 0.75 ALDH1A1 (0.42) ADORA3ADORA1ADORA2AMAPTNPC1
SCHEMBL19699517 0.74 ADORA1 (0.44) TYK2ADORA3ADORA1ADORA2ABUB1
SCHEMBL19699550 0.74 BUB1 (0.45) TYK2ADORA3ADORA1ADORA2APIK3C3
SCHEMBL19699519 0.73 TYK2 (0.46) TYK2ADORA3ADORA1ADORA2APIK3C3

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TYK2 2258/4885ADORA3 3249/4885ADORA1 2574/4885

“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.