SCHEMBL19699521

SCHEMBL19699521

CC(C)C(=O)Nc1cc(-c2ccn(C)n2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
JMJD6 Q6NYC1 6/20 0.47
GSK3B P49841 2/20 0.45
WNT1 P04628 1/20 0.45
TYK2 P29597 1/20 0.44
BUB1 O43683 3/20 0.43
NR3C2 P08235 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
MAPT P10636 1/20 0.42
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PIP5K1C O60331 1/20 0.41

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
SCHEMBL17240174 0.85 JMJD6 (0.54) DYRK1AJMJD6GSK3BWNT1NR3C2
SCHEMBL19706503 0.85 PIK3C3 (0.51) DYRK1AJMJD6WNT1PIK3C3
SCHEMBL15885857 0.79 IRAK4 (0.55) DYRK1AJMJD6GSK3BWNT1PIK3C3
SCHEMBL19699587 0.79 PIK3C3 (0.43) GSK3BTYK2BUB1NR3C2PIK3C3
SCHEMBL19699553 0.78 DYRK1A (0.57) DYRK1AGSK3BWNT1
SCHEMBL1106972 0.77 SMN1; SMN2 (0.58) MAPT
SCHEMBL19728654 0.76 TYK2 (0.44) GSK3BTYK2BUB1NR3C2PIK3C3
SCHEMBL24932350 0.76 EGFR (0.61) GSK3BTYK2BUB1MAPTADORA3
SCHEMBL19699504 0.76 TYK2 (0.42) GSK3BTYK2BUB1NR3C2PIK3C3
SCHEMBL19699548 0.75 PIK3C3 (0.51) GSK3BTYK2BUB1PIK3C3MAPT

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 4 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
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 DYRK1A 3048/4885JMJD6 853/4885GSK3B 2322/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2959/4885JMJD6 889/4885GSK3B 2340/4885

“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.