SCHEMBL17618486

SCHEMBL17618486

Cn1cc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3N3CC[C@H]2C3)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.38
▸ JAK1 P23458 5/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ TYK2 P29597 4/20 0.38
▸ MET P08581 3/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ SCD O00767 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ MLNR O43193 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ TP53 P04637 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
SCHEMBL17618429 0.88 LRRK2 (0.40) LRRK2JAK2CLK2SCDIRAK4
SCHEMBL17618483 0.87 KDM1A (0.37) LRRK2OPRM1OPRD1MLNRTP53
SCHEMBL17618479 0.86 THRB (0.42) TP53
SCHEMBL17618496 0.86 CLK2 (0.39) LRRK2JAK1JAK2TYK2CLK2
SCHEMBL17618385 0.86 MAPT (0.41) LRRK2JAK1JAK2TYK2CLK2
SCHEMBL17618485 0.86 LRRK2 (0.38) LRRK2USP30UCHL1
SCHEMBL17618482 0.85 HDAC2 (0.39) LRRK2USP30TP53
SCHEMBL19670592 0.84 CLK2 (0.36) LRRK2JAK1JAK3JAK2CLK2
SCHEMBL17618472 0.84 IRAK4 (0.42) METUSP30IRAK4
SCHEMBL19699049 0.83 IDO1 (0.45) LRRK2JAK1JAK2USP30TP53

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 LRRK2 657/4885JAK1 3270/4885JAK3 3687/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 533/4885JAK1 3366/4885JAK3 3700/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LRRK2 533/4885JAK1 3366/4885JAK3 3700/4885

“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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