SCHEMBL19714534

SCHEMBL19714534

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ AXL P30530 9/20 0.36
▸ GPR6 P46095 1/20 0.33
▸ ACACB O00763 3/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CBLB Q13191 1/20 0.33

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
SCHEMBL19714533 1.00 NTRK1 (0.37) NTRK1MAP4K1AXLGPR6ACACB
SCHEMBL19714324 0.92 RPS6KA3 (0.37) —
SCHEMBL19714243 0.92 AXL (0.33) NTRK1MAP4K1AXLCNR2CBLB
SCHEMBL19714017 0.92 RPS6KA3 (0.37) —
SCHEMBL19714239 0.92 AXL (0.33) NTRK1MAP4K1AXLCNR2CBLB
SCHEMBL22239765 0.92 AXL (0.33) NTRK1MAP4K1AXLCNR2CBLB
SCHEMBL17769861 0.91 NTRK1 (0.33) NTRK1MAP4K1AXLACACBCNR2
SCHEMBL17777016 0.91 AXL (0.33) NTRK1MAP4K1AXLACACBCNR2
SCHEMBL17770116 0.91 AXL (0.33) NTRK1MAP4K1AXLACACBCNR2
SCHEMBL17770122 0.91 AXL (0.33) NTRK1MAP4K1AXLACACBCNR2

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
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

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 NTRK1 4760/4885MAP4K1 1855/4885AXL 542/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NTRK1 4760/4885MAP4K1 1855/4885AXL 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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