SCHEMBL19699545

SCHEMBL19699545

CC(C)C(=O)Nc1cc(-c2cnn(CC(F)(F)F)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.46
GSK3B P49841 7/20 0.45
MAPT P10636 3/20 0.45
TBK1 Q9UHD2 4/20 0.43
KDR P35968 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
WNT1 P04628 4/20 0.40
DYRK1A Q13627 4/20 0.40
SCN9A Q15858 1/20 0.40
IDO1 P14902 1/20 0.40
LRRK2 Q5S007 1/20 0.39
NR3C2 P08235 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
SCHEMBL19699525 0.86 GSK3B (0.50) EP300GSK3BMAPTTBK1WNT1
SCHEMBL19699553 0.80 DYRK1A (0.57) EP300GSK3BBRD4CREBBPWNT1
SCHEMBL23570700 0.75 HIF1A (0.53) MAPTKDRIDO1
SCHEMBL19706511 0.73 PIK3C3 (0.53) GSK3BWNT1DYRK1A
SCHEMBL19699579 0.72 MAPK14 (0.49) GSK3BMAPTSCN9ANR3C2
SCHEMBL24932350 0.72 EGFR (0.61) GSK3BMAPT
SCHEMBL19699548 0.70 PIK3C3 (0.51) GSK3BMAPTBRD4CREBBP
SCHEMBL19699511 0.69 WNT3A (0.47) GSK3BMAPTWNT1DYRK1A
SCHEMBL19699527 0.69 GSK3B (0.47) GSK3BMAPTWNT1DYRK1A
SCHEMBL19962827 0.69 MAPT (0.53) GSK3BMAPTKDRSCN9ANR3C2

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-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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EP300 247/4885GSK3B 2322/4885MAPT 306/4885

“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.