SCHEMBL19699548

SCHEMBL19699548

CC(C)C(=O)Nc1cc(-c2cn(C)nc2C(F)(F)F)ccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.51
BRD4 O60885 4/20 0.42
CREBBP Q92793 3/20 0.42
MAPT P10636 5/20 0.41
GSK3B P49841 5/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
MAPK1 P28482 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TYK2 P29597 1/20 0.39
ABL1 P00519 2/20 0.39
RIPK3 Q9Y572 1/20 0.39
BUB1 O43683 1/20 0.39
EGFR P00533 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
SCHEMBL19706505 0.87 PIK3C3 (0.63) PIK3C3BRD4CREBBP
SCHEMBL19699587 0.84 PIK3C3 (0.43) PIK3C3MAPTGSK3BTYK2ABL1
SCHEMBL16105613 0.81 CSNK1D (0.58) ABL1EGFR
SCHEMBL19699521 0.75 DYRK1A (0.48) PIK3C3MAPTGSK3BTYK2BUB1
SCHEMBL19699553 0.74 DYRK1A (0.57) BRD4CREBBPGSK3BABL1
SCHEMBL16105258 0.74 CSNK1D (0.58) EGFR
SCHEMBL19699579 0.73 MAPK14 (0.49) PIK3C3MAPTGSK3BTYK2RIPK3
SCHEMBL19962827 0.73 MAPT (0.53) MAPTGSK3BTYK2
SCHEMBL1646401 0.72 MAPK14 (0.47) MAPTGSK3BABL1RIPK3
SCHEMBL16105680 0.71 CSNK1D (0.57)

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 1 patent. 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

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 PIK3C3 4720/4885BRD4 429/4885CREBBP 514/4885

“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.