SCHEMBL19706747

SCHEMBL19706747

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(OC[C@@H](O)CO)n2)C2CCN3C2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 4/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ RAF1 P04049 4/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ USP30 Q70CQ3 2/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ MAPK1 P28482 2/20 0.30

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
SCHEMBL17768231 1.00 WNT3A (0.33) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL17768229 1.00 WNT3A (0.33) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL19689757 0.90 KIF18A (0.34) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL19689755 0.90 KIF18A (0.34) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL19689719 0.90 CSF1R (0.35) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL17778746 0.90 CSF1R (0.35) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL19689720 0.90 CSF1R (0.35) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL19689733 0.89 RAF1 (0.33) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL19689734 0.89 RAF1 (0.33) WNT3ATLR9TLR8TLR7RAF1
SCHEMBL17618386 0.89 PDE4A (0.33) RAF1USP30MAPK1

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 WNT3A 4482/4885TLR9 4107/4885TLR8 2844/4885

“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.

Send feedback