SCHEMBL17618515

SCHEMBL17618515

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.42
▸ LRRK2 Q5S007 11/20 0.40
▸ USP30 Q70CQ3 4/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ MAP4K1 Q92918 2/20 0.39
▸ PRKCQ Q04759 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ UCHL1 P09936 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
SCHEMBL19365427 1.00 HDAC2 (0.42) HDAC2LRRK2USP30HSD11B1MAP4K1
SCHEMBL17618441 0.96 HDAC2 (0.42) HDAC2LRRK2USP30HSD11B1MCHR1
SCHEMBL19706087 0.94 HDAC2 (0.42) HDAC2LRRK2USP30HSD11B1MAP4K1
SCHEMBL20633151 0.91 LRRK2 (0.39) HDAC2LRRK2USP30HSD11B1MAP4K1
SCHEMBL19365376 0.89 USP30 (0.45) LRRK2USP30HSD11B1MAP4K1PRKCQ
SCHEMBL17618514 0.89 USP30 (0.45) LRRK2USP30HSD11B1MAP4K1PRKCQ
SCHEMBL17618586 0.89 USP30 (0.45) LRRK2USP30HSD11B1MAP4K1PRKCQ
SCHEMBL17618446 0.88 GRM5 (0.42) —
SCHEMBL17618587 0.88 USP30 (0.42) LRRK2USP30HSD11B1MAP4K1PRKCQ
SCHEMBL17618600 0.88 USP30 (0.44) LRRK2USP30HSD11B1MAP4K1PRKCQ

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC2 72/4885LRRK2 657/4885USP30 96/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC2 50/4885LRRK2 533/4885USP30 119/4885

“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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