SCHEMBL17618587

SCHEMBL17618587

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.42
▸ LRRK2 Q5S007 13/20 0.42
▸ MAP4K1 Q92918 2/20 0.41
▸ GRM5 P41594 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL17618484 0.95 GRM5 (0.41) USP30LRRK2GRM5
SCHEMBL17618755 0.91 GSK3B (0.38) USP30JAK2JAK1JAK3HSD11B1
SCHEMBL19365376 0.91 USP30 (0.45) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL17618586 0.91 USP30 (0.45) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL17618514 0.91 USP30 (0.45) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL17618600 0.89 USP30 (0.44) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL17618515 0.88 HDAC2 (0.42) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL19365427 0.88 HDAC2 (0.42) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL19365746 0.87 USP30 (0.41) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL17618512 0.87 USP30 (0.41) USP30LRRK2MAP4K1PRKCQJAK2

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 USP30 96/4885LRRK2 657/4885MAP4K1 1876/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 USP30 119/4885LRRK2 533/4885MAP4K1 2341/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 USP30 119/4885LRRK2 533/4885MAP4K1 2341/4885

“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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