SCHEMBL19699525

SCHEMBL19699525

CCn1cc(-c2ccnc(NC(=O)C(C)C)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.50
DYRK1A Q13627 8/20 0.50
WNT1 P04628 6/20 0.50
EP300 Q09472 1/20 0.44
TYK2 P29597 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NR3C2 P08235 2/20 0.42
MAPT P10636 2/20 0.41
TBK1 Q9UHD2 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
SIK1 P57059 1/20 0.40

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
SCHEMBL19706511 0.86 PIK3C3 (0.53) GSK3BDYRK1AWNT1PIK3C3
SCHEMBL19699545 0.86 EP300 (0.46) GSK3BDYRK1AWNT1EP300NR3C2
SCHEMBL19699553 0.84 DYRK1A (0.57) GSK3BDYRK1AWNT1EP300ABL1
SCHEMBL24932350 0.75 EGFR (0.61) GSK3BTYK2MAPTNPC1RAB9A
SCHEMBL16105304 0.74 MAPK14 (0.47) NR3C2ABL1
SCHEMBL19699511 0.73 WNT3A (0.47) GSK3BDYRK1AWNT1TYK2MAPT
SCHEMBL9891907 0.71 RIOK2 (0.53) GSK3BTYK2NR3C2MAPTNPC1
SCHEMBL29404187 0.71 PIK3CD (0.52) DYRK1AMAPK1
SCHEMBL19699532 0.71 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL28668448 0.71 NAMPT (0.49) DYRK1AMAPTNPC1RAB9ASMN1; SMN2

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 GSK3B 2322/4885DYRK1A 3048/4885WNT1 3338/4885

“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.