SCHEMBL17618453

SCHEMBL17618453

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2F)[C@H]2CCN3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 5/20 0.39
▸ THRB P10828 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ SSTR5 P35346 1/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ USP30 Q70CQ3 3/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL17618404 0.90 TRPV1 (0.42) GPR6PDE4DPDE4APDE4BPDE4C
SCHEMBL19365347 0.88 BTK (0.36) GPR6
SCHEMBL17618360 0.88 GRM5 (0.37) GPR6SMN1; SMN2JAK2
SCHEMBL16238183 0.87 RPS6KB1 (0.39) HDAC2ALDH1A1
SCHEMBL17618459 0.87 PIM2 (0.38) JAK2
SCHEMBL17618479 0.87 THRB (0.42) THRBPDE4DPDE4APDE4BPDE4C
SCHEMBL17618489 0.86 THRB (0.44) GPR6THRBHDAC2PDE4DUSP30
SCHEMBL17618482 0.85 HDAC2 (0.39) THRBHDAC2SSTR5PDE4DUSP30
SCHEMBL17618462 0.85 ABL1 (0.41) PDE4DUSP30PDE4APDE4B
SCHEMBL17618484 0.84 GRM5 (0.41) THRBPDE4DUSP30LRRK2PDE4A

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 GPR6 3200/4885THRB 1653/4885HDAC2 72/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR6 2629/4885THRB 2054/4885HDAC2 50/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GPR6 2629/4885THRB 2054/4885HDAC2 50/4885

“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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