SCHEMBL19689755

SCHEMBL19689755

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cccc(OCC(O)CO)n2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 6/20 0.34
▸ RAF1 P04049 5/20 0.34
▸ WNT3A P56704 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ KARS1 Q15046 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
SCHEMBL19689757 1.00 KIF18A (0.34) KIF18ARAF1WNT3ATLR9TLR8
SCHEMBL17768148 0.92 RAF1 (0.34) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17768146 0.92 RAF1 (0.34) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19706670 0.92 RAF1 (0.34) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19689733 0.91 RAF1 (0.33) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19689734 0.91 RAF1 (0.33) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17618758 0.90 WNT3A (0.35) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19706747 0.90 WNT3A (0.33) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17768229 0.90 WNT3A (0.33) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17768231 0.90 WNT3A (0.33) RAF1WNT3ATLR9TLR8TLR7

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 KIF18A 3170/4885RAF1 2078/4885WNT3A 4482/4885

“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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