SCHEMBL19699550

SCHEMBL19699550

CC(C)C(=O)Nc1cc(-c2ncn[nH]2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 3/20 0.45
TYK2 P29597 2/20 0.44
PIK3C3 Q8NEB9 4/20 0.43
MAPT P10636 4/20 0.42
GSK3B P49841 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR3C2 P08235 1/20 0.40
ACVRL1 P37023 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2B P29275 1/20 0.38
ENPP2 Q13822 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
SCHEMBL19706564 0.85 PIK3C3 (0.59) TYK2PIK3C3GSK3B
SCHEMBL19699511 0.76 WNT3A (0.47) TYK2PIK3C3MAPTGSK3BNPC1
SCHEMBL24932350 0.76 EGFR (0.61) BUB1TYK2MAPTGSK3BNPC1
SCHEMBL19699519 0.75 TYK2 (0.46) BUB1TYK2PIK3C3MAPTGSK3B
SCHEMBL19728654 0.74 TYK2 (0.44) BUB1TYK2PIK3C3MAPTGSK3B
SCHEMBL19728659 0.73 KDM4D (0.55) BUB1TYK2MAPTGSK3BNPC1
SCHEMBL19699534 0.72 MAPT (0.59) TYK2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19728666 0.72 TYK2 (0.53) TYK2MAPTGSK3BNPC1RAB9A
SCHEMBL23212152 0.72 TYK2 (0.57) TYK2MAPTGSK3BNPC1RAB9A
SCHEMBL19699509 0.72 TYK2 (0.43) BUB1TYK2PIK3C3MAPTGSK3B

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 BUB1 801/4885TYK2 2321/4885PIK3C3 4720/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BUB1 784/4885TYK2 2258/4885PIK3C3 4718/4885

“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.