SCHEMBL19699585

SCHEMBL19699585

Cc1ncc(-c2ccnc(NC(=O)C(C)C)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.48
DYRK1A Q13627 16/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
WNT1 P04628 6/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
TYK2 P29597 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL19706519 0.85 PIK3C3 (0.56) GSK3BDYRK1AWNT1
SCHEMBL20733158 0.82 ADORA3 (0.39) GSK3BDYRK1AWNT1ADORA3ADORA2A
SCHEMBL19699524 0.80 ADORA3 (0.50) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL19728661 0.78 NPC1 (0.39) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL19699517 0.76 ADORA1 (0.44) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL19699594 0.75 DYRK1A (0.43) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL19699596 0.75 CDC7 (0.46) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL19699527 0.75 GSK3B (0.47) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL24932350 0.75 EGFR (0.61) GSK3BNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL19699534 0.74 MAPT (0.59) NPC1RAB9ASMN1; SMN2TYK2MAPT

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-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 GSK3B 2322/4885DYRK1A 3048/4885NPC1 3073/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885DYRK1A 2959/4885NPC1 3047/4885

“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.