SCHEMBL19699498

SCHEMBL19699498

COc1cncc(NC(=O)C(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
CHEK1 O14757 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
DYRK1A Q13627 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL19699558 0.86 CHEK1 (0.41) SCN10AADORA3ALDH1A1LMNACHEK1
SCHEMBL19699474 0.83 MAPK8 (0.46) ADORA3KMT2AALDH1A1LMNACHEK1
SCHEMBL19736359 0.81 CYP1A2 (0.51) ADORA3KDM4ESMN1; SMN2ADORA1ADORA2B
SCHEMBL6517886 0.81 KDM4E (0.42) ALDH1A1CHEK1KDM4E
SCHEMBL19699607 0.81 ADORA3 (0.40) ADORA3ALDH1A1LMNACHEK1MAPT
SCHEMBL19116335 0.80 SMN1; SMN2 (0.53) ADORA3ALDH1A1LMNACHEK1MAPT
SCHEMBL25954768 0.80 ADORA3 (0.40) SCN10AADORA3ALDH1A1LMNAMAPT
SCHEMBL19699593 0.80 ADORA3 (0.37) ADORA3ALDH1A1LMNACHEK1MAPT
SCHEMBL19699490 0.78 ADORA3 (0.41) ADORA3ALDH1A1MAPTSMN1; SMN2ADORA2A
SCHEMBL19111006 0.78 AAK1 (0.43) ADORA3ALDH1A1CHEK1SMN1; SMN2ADORA1

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 SCN10A 3199/4885ADORA3 3318/4885KMT2A 1922/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN10A 3138/4885ADORA3 3249/4885KMT2A 1870/4885

“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.