SCHEMBL19699519

SCHEMBL19699519

CC(C)C(=O)Nc1cc(-c2cnn[nH]2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.46
GSK3B P49841 8/20 0.44
MAPT P10636 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3C3 Q8NEB9 4/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
BUB1 O43683 3/20 0.42
GSK3A P49840 1/20 0.40
NR3C2 P08235 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
SCHEMBL19736124 0.85 PIK3C3 (0.57) PIK3C3
SCHEMBL19699511 0.75 WNT3A (0.47) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL19699550 0.75 BUB1 (0.45) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL24932350 0.75 EGFR (0.61) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL19728659 0.74 KDM4D (0.55) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL19699527 0.73 GSK3B (0.47) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL19728654 0.73 TYK2 (0.44) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL19699524 0.72 ADORA3 (0.50) TYK2GSK3BMAPTNPC1RAB9A
SCHEMBL19699553 0.72 DYRK1A (0.57) GSK3B
SCHEMBL19699585 0.72 GSK3B (0.48) TYK2GSK3BMAPTNPC1RAB9A

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 TYK2 2321/4885GSK3B 2322/4885MAPT 306/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TYK2 2258/4885GSK3B 2340/4885MAPT 290/4885

“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.