SCHEMBL19728660

SCHEMBL19728660

COc1ccnc(NC(=O)C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 7/20 0.67
GSK3A P49840 3/20 0.56
MAPK10 P53779 3/20 0.56
KMT2A Q03164 1/20 0.53
MTNR1B P49286 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.50
TYK2 P29597 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
TP53 P04637 1/20 0.48
NR3C2 P08235 1/20 0.47

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
SCHEMBL24598427 0.85 NPC1 (0.51) RIOK2GSK3AMAPK10ALDH1A1MAPT
SCHEMBL25404170 0.83 TP53 (0.64) RIOK2GSK3AMAPK10ALDH1A1MAPT
SCHEMBL24932361 0.82 GCK (0.69) RIOK2MTNR1BADORA3ALDH1A1MAPT
SCHEMBL19728667 0.82 RIOK2 (0.49) RIOK2GSK3AMAPK10ADORA3ALDH1A1
SCHEMBL19728675 0.82 RIOK2 (0.49) RIOK2GSK3AMAPK10ALDH1A1MAPT
SCHEMBL25189182 0.82 RIOK2 (0.60) RIOK2GSK3AMAPK10ALDH1A1MAPT
SCHEMBL3932265 0.82 RIOK2 (0.57) RIOK2GSK3AMAPK10MTNR1BADORA3
SCHEMBL19728670 0.81 RIOK2 (0.48) RIOK2GSK3AMAPK10ALDH1A1MAPT
SCHEMBL25402019 0.81 NR3C2 (0.67) RIOK2GSK3AMAPK10ALDH1A1TP53
SCHEMBL19116535 0.81 RIOK2 (0.60) RIOK2GSK3AMAPK10MTNR1BALDH1A1

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 2 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

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 RIOK2 2619/4885GSK3A 3009/4885MAPK10 1498/4885

“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.