SCHEMBL17768146

SCHEMBL17768146

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(OC[C@@H](O)CO)ncn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.34
▸ WNT3A P56704 2/20 0.32
▸ ABL1 P00519 1/20 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
▸ MAPK1 P28482 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ FAAH O00519 1/20 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
SCHEMBL19706670 1.00 RAF1 (0.34) RAF1WNT3AABL1TLR9TLR8
SCHEMBL17768148 1.00 RAF1 (0.34) RAF1WNT3AABL1TLR9TLR8
SCHEMBL19689755 0.92 KIF18A (0.34) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19689757 0.92 KIF18A (0.34) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17618758 0.90 WNT3A (0.35) RAF1WNT3AABL1TLR9TLR8
SCHEMBL19689727 0.90 RAF1 (0.37) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19689720 0.90 CSF1R (0.35) RAF1WNT3AABL1TLR9TLR8
SCHEMBL19689719 0.90 CSF1R (0.35) RAF1WNT3AABL1TLR9TLR8
SCHEMBL19689728 0.90 RAF1 (0.37) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17778746 0.90 CSF1R (0.35) RAF1WNT3AABL1TLR9TLR8

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 5 patents. 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
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 4482/4885ABL1 3898/4885

“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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