SCHEMBL17770414

SCHEMBL17770414

Cc1ncc(-c2ccnc(NC(=O)N3c4nc(C(=O)O)ccc4N4CC[C@H]3C4)n2)o1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.35
▸ DYRK1A Q13627 13/20 0.35
▸ WNT1 P04628 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ JMJD1C Q15652 1/20 0.31
▸ KDM3A Q9Y4C1 1/20 0.31
▸ JAK2 O60674 2/20 0.30
▸ JAK1 P23458 2/20 0.30
▸ JAK3 P52333 2/20 0.30
▸ EGFR P00533 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL19736441 1.00 GSK3B (0.35) GSK3BDYRK1AWNT1KDM4EKDM5A
SCHEMBL17769925 0.92 GSK3B (0.33) GSK3BDYRK1AWNT1EGFR
SCHEMBL17777069 0.92 GSK3B (0.33) GSK3BDYRK1AWNT1EGFR
SCHEMBL17770374 0.87 JAK2 (0.36) GSK3BDYRK1AWNT1JAK2JAK1
SCHEMBL17770467 0.87 JAK2 (0.36) GSK3BDYRK1AWNT1JAK2JAK1
SCHEMBL17770058 0.87 GSK3B (0.32) GSK3BDYRK1AWNT1EGFR
SCHEMBL17770063 0.87 GSK3B (0.32) GSK3BDYRK1AWNT1EGFR
SCHEMBL19706758 0.86 GSK3B (0.35) GSK3BDYRK1AWNT1EGFR
SCHEMBL17778751 0.86 GSK3B (0.35) GSK3BDYRK1AWNT1EGFR
SCHEMBL17770157 0.81 FAAH (0.36) KDM4EKDM5AJMJD1CKDM3A

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079710-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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GSK3B 2340/4885DYRK1A 2959/4885WNT1 3504/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885DYRK1A 2959/4885WNT1 3504/4885

“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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