SCHEMBL17618386

SCHEMBL17618386

O=C(Nc1ccnc(OCC(O)CO)n1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ STK4 Q13043 1/20 0.32
▸ STK3 Q13188 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SLC6A7 Q99884 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ KMO O15229 1/20 0.32
▸ IRAK4 Q9NWZ3 3/20 0.31
▸ USP30 Q70CQ3 2/20 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
SCHEMBL17618397 0.92 HPGDS (0.34) PDE4APDE4BPDE4CPDE4DCDK2
SCHEMBL16754528 0.90 CA2 (0.36) RAF1CDK2SMN1; SMN2KMOCCNA2
SCHEMBL16754530 0.90 CA2 (0.36) RAF1CDK2SMN1; SMN2KMOCCNA2
SCHEMBL16754531 0.90 CA2 (0.36) RAF1CDK2SMN1; SMN2KMOCCNA2
SCHEMBL19706747 0.89 WNT3A (0.33) RAF1USP30MAPK1
SCHEMBL17768231 0.89 WNT3A (0.33) RAF1USP30MAPK1
SCHEMBL17768229 0.89 WNT3A (0.33) RAF1USP30MAPK1
SCHEMBL16238670 0.88 GRM5 (0.34) PDE4APDE4BPDE4CPDE4DRAF1
SCHEMBL17618381 0.88 CCNE1 (0.37) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL17618396 0.87 RAF1 (0.38) PDE4APDE4BPDE4CPDE4DRAF1

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 PDE4A 2862/4885PDE4B 2704/4885PDE4C 3364/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PDE4A 2267/4885PDE4B 1927/4885PDE4C 2626/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PDE4A 2267/4885PDE4B 1927/4885PDE4C 2626/4885

“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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