SCHEMBL17770184

SCHEMBL17770184

C[C@H](NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(Br)ccn1)[C@H]1CCN2C1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.33
▸ CNR2 P34972 6/20 0.33
▸ CBLB Q13191 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL17770116 1.00 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17777016 1.00 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17770122 1.00 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL17769368 0.95 CNR2 (0.33) AXLCNR2CNR1ACACB
SCHEMBL17769366 0.95 CNR2 (0.33) AXLCNR2CNR1ACACB
SCHEMBL19714243 0.91 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL19714324 0.91 RPS6KA3 (0.37) —
SCHEMBL19714534 0.91 NTRK1 (0.37) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL22239765 0.91 AXL (0.33) AXLCNR2CBLBNTRK1MAP4K1
SCHEMBL19714533 0.91 NTRK1 (0.37) AXLCNR2CBLBNTRK1MAP4K1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-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 (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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 AXL 542/4885CNR2 3062/4885CBLB 4475/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AXL 542/4885CNR2 3062/4885CBLB 4475/4885

“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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