SCHEMBL19689734

SCHEMBL19689734

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(OCC(O)CO)n2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.33
▸ WNT3A P56704 5/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL19689733 1.00 RAF1 (0.33) RAF1WNT3AMAPK1FFAR4ABL1
SCHEMBL16754425 0.92 PIK3CA (0.34) RAF1FFAR4ABL1
SCHEMBL16754514 0.92 PIK3CA (0.34) RAF1FFAR4ABL1
SCHEMBL16754515 0.92 PIK3CA (0.34) RAF1FFAR4ABL1
SCHEMBL17618758 0.91 WNT3A (0.35) RAF1WNT3AMAPK1ABL1JAK3
SCHEMBL19689757 0.91 KIF18A (0.34) RAF1WNT3AMAPK1TLR9TLR8
SCHEMBL19689755 0.91 KIF18A (0.34) RAF1WNT3AMAPK1TLR9TLR8
SCHEMBL16754445 0.90 DYRK1A (0.36) WNT3AMAPK1ABL1JAK3DYRK1A
SCHEMBL17768146 0.90 RAF1 (0.34) RAF1WNT3AMAPK1ABL1JAK3
SCHEMBL19706670 0.90 RAF1 (0.34) RAF1WNT3AMAPK1ABL1JAK3

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 RAF1 2078/4885WNT3A 4482/4885MAPK1 1307/4885

“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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