SCHEMBL17618758

SCHEMBL17618758

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cnc(OC[C@@H](O)CO)cn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 7/20 0.35
▸ RAF1 P04049 5/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ DYRK1A Q13627 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 0.91 RAF1 (0.33) WNT3ARAF1ABL1JAK3MAPK1
SCHEMBL19689734 0.91 RAF1 (0.33) WNT3ARAF1ABL1JAK3MAPK1
SCHEMBL19699040 0.90 CA9 (0.31) RAF1
SCHEMBL17768148 0.90 RAF1 (0.34) WNT3ARAF1ABL1JAK3MAPK1
SCHEMBL19689757 0.90 KIF18A (0.34) WNT3ARAF1MAPK1TLR9TLR8
SCHEMBL19706670 0.90 RAF1 (0.34) WNT3ARAF1ABL1JAK3MAPK1
SCHEMBL17768146 0.90 RAF1 (0.34) WNT3ARAF1ABL1JAK3MAPK1
SCHEMBL19689755 0.90 KIF18A (0.34) WNT3ARAF1MAPK1TLR9TLR8
SCHEMBL17768107 0.90 WNT3A (0.37) WNT3AABL1JAK3MAPK1DYRK1A
SCHEMBL16754354 0.90 WNT3A (0.37) WNT3AABL1JAK3MAPK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4128/4885RAF1 2459/4885ABL1 3987/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4291/4885RAF1 2875/4885ABL1 4089/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 WNT3A 4291/4885RAF1 2875/4885ABL1 4089/4885

“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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