SCHEMBL17769368

SCHEMBL17769368

CC(NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(Br)ccn1)[C@H]1CCCN2C1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AXL P30530 2/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ ACACB O00763 4/20 0.31
▸ BTK Q06187 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ AKT1 P31749 1/20 0.31

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
SCHEMBL17769366 1.00 CNR2 (0.33) CNR2CHEK1AXLCNR1NR3C2
SCHEMBL17770184 0.95 AXL (0.33) CNR2AXLCNR1ACACB
SCHEMBL17777016 0.95 AXL (0.33) CNR2AXLCNR1ACACB
SCHEMBL17770122 0.95 AXL (0.33) CNR2AXLCNR1ACACB
SCHEMBL17770116 0.95 AXL (0.33) CNR2AXLCNR1ACACB
SCHEMBL22239707 0.88 CNR2 (0.35) CNR2CHEK1ACACBGSK3BCDK5
SCHEMBL20720935 0.87 GSK3B (0.37) NR3C2GSK3BDYRK1AAKT1
SCHEMBL17778546 0.87 GSK3B (0.37) NR3C2GSK3BDYRK1AAKT1
SCHEMBL19714534 0.87 NTRK1 (0.37) CNR2AXLACACB
SCHEMBL22239765 0.87 AXL (0.33) CNR2AXLCNR1

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
EP-3221322-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3062/4885CHEK1 915/4885AXL 542/4885

“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.

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