SCHEMBL17618471

SCHEMBL17618471

O=C(Nc1ccncn1)N1c2nc(-c3cccc(OC(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.45
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ FAAH O00519 2/20 0.40
▸ ABL1 P00519 4/20 0.39
▸ GSK3B P49841 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ SLC6A7 Q99884 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL17618450 0.91 PDE4A (0.43) PDE4APDE4BPDE4DABL1GSK3B
SCHEMBL17618470 0.89 ABL1 (0.42) PDE4APDE4BPDE4DFAAHABL1
SCHEMBL17618498 0.88 MPL (0.43) MPLFAAHSCN9A
SCHEMBL17618350 0.88 MPL (0.43) MPLFAAHSCN9A
SCHEMBL17618440 0.88 ABL1 (0.40) PDE4APDE4BPDE4DABL1GSK3B
SCHEMBL19669044 0.88 GSK3B (0.42) PDE4APDE4BPDE4DABL1GSK3B
SCHEMBL17618476 0.87 ABL1 (0.39) PDE4APDE4BPDE4DABL1GSK3B
SCHEMBL17618447 0.87 KIT (0.41) PDE4APDE4BPDE4DFAAHABL1
SCHEMBL19699042 0.87 FAAH (0.38) PDE4APDE4BPDE4DFAAHGSK3B
SCHEMBL17618430 0.86 MPL (0.41) MPLPDE4APDE4BPDE4DFAAH

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 MPL 3356/4885PDE4A 2862/4885PDE4B 2704/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 3547/4885PDE4A 2267/4885PDE4B 1927/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MPL 3547/4885PDE4A 2267/4885PDE4B 1927/4885

“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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