SCHEMBL19699587

SCHEMBL19699587

Cc1nn(C)cc1-c1ccnc(NC(=O)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 6/20 0.43
TYK2 P29597 1/20 0.42
MAPT P10636 3/20 0.42
GSK3B P49841 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EP300 Q09472 2/20 0.41
EGFR P00533 1/20 0.41
ABL1 P00519 1/20 0.41
BUB1 O43683 3/20 0.41
NR3C2 P08235 1/20 0.40
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL19706508 0.86 PIK3C3 (0.54) PIK3C3
SCHEMBL19699548 0.84 PIK3C3 (0.51) PIK3C3TYK2MAPTGSK3BEGFR
SCHEMBL16105613 0.82 CSNK1D (0.58) EGFRABL1NR3C2
SCHEMBL19699521 0.79 DYRK1A (0.48) PIK3C3TYK2MAPTGSK3BBUB1
SCHEMBL19699504 0.78 TYK2 (0.42) PIK3C3TYK2MAPTGSK3BNPC1
SCHEMBL19699553 0.78 DYRK1A (0.57) GSK3BEP300ABL1
SCHEMBL19699509 0.77 TYK2 (0.43) PIK3C3TYK2MAPTGSK3BNPC1
SCHEMBL19699597 0.77 IDH1 (0.49) TYK2EGFRMAP4K1
SCHEMBL16105258 0.75 CSNK1D (0.58) EGFRNR3C2
SCHEMBL19699566 0.74 MAPT (0.42) MAPTGSK3BNPC1RAB9ASMN1; SMN2

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-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 PIK3C3 4720/4885TYK2 2321/4885MAPT 306/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3C3 4718/4885TYK2 2258/4885MAPT 290/4885

“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.