SCHEMBL19689727

SCHEMBL19689727

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(OC[C@@H](O)CO)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 11/20 0.37
▸ ACACB O00763 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ WNT3A P56704 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL19689728 1.00 RAF1 (0.37) RAF1ACACBUSP30WNT3ATLR9
SCHEMBL19706676 1.00 RAF1 (0.37) RAF1ACACBUSP30WNT3ATLR9
SCHEMBL19706670 0.90 RAF1 (0.34) RAF1ACACBWNT3ATLR9TLR8
SCHEMBL17768146 0.90 RAF1 (0.34) RAF1ACACBWNT3ATLR9TLR8
SCHEMBL17768148 0.90 RAF1 (0.34) RAF1ACACBWNT3ATLR9TLR8
SCHEMBL19689757 0.89 KIF18A (0.34) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL17618396 0.89 RAF1 (0.38) RAF1
SCHEMBL17618402 0.89 WNT3A (0.35) RAF1WNT3A
SCHEMBL17618758 0.89 WNT3A (0.35) RAF1WNT3ATLR9TLR8TLR7
SCHEMBL19689755 0.89 KIF18A (0.34) 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 3 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

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 2078/4885ACACB 318/4885USP30 189/4885

“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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