SCHEMBL17618516

SCHEMBL17618516

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.40
▸ MCHR1 Q99705 4/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ MAP4K1 Q92918 2/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL19365378 1.00 LRRK2 (0.40) LRRK2MCHR1HDAC2CNR1MAP4K1
SCHEMBL17618585 1.00 LRRK2 (0.40) LRRK2MCHR1HDAC2CNR1MAP4K1
SCHEMBL17618482 0.95 HDAC2 (0.39) LRRK2MCHR1HDAC2CNR1HSD11B1
SCHEMBL19706070 0.94 LRRK2 (0.38) LRRK2MCHR1HDAC2CNR1MAP4K1
SCHEMBL17618740 0.92 ABL1 (0.38) HSD11B1DGAT2
SCHEMBL17770603 0.89 CACNA1G (0.40) LRRK2CNR1MAP4K1HSD11B1USP30
SCHEMBL17618505 0.89 CACNA1G (0.40) LRRK2CNR1MAP4K1HSD11B1USP30
SCHEMBL16238326 0.89 CACNA1G (0.40) LRRK2CNR1MAP4K1HSD11B1USP30
SCHEMBL17618674 0.87 PIM2 (0.43) —
SCHEMBL17618515 0.87 HDAC2 (0.42) LRRK2MCHR1HDAC2MAP4K1HSD11B1

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 LRRK2 657/4885MCHR1 4022/4885HDAC2 72/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 533/4885MCHR1 4256/4885HDAC2 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.

Send feedback