SCHEMBL17618504

SCHEMBL17618504

COc1cc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3N3CCC[C@@H]2C3)ncn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.42
▸ MAP4K1 Q92918 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ PRKCQ Q04759 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ FGFR4 P22455 1/20 0.38

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
SCHEMBL17618456 0.96 LRRK2 (0.41) LRRK2USP30FAAHALDH1A1CYP1A2
SCHEMBL17618634 0.89 FAAH (0.41) LRRK2USP30FAAHALDH1A1CYP1A2
SCHEMBL17618613 0.88 FAAH (0.40) LRRK2USP30FAAHALDH1A1TSHR
SCHEMBL17618544 0.88 FAAH (0.40) LRRK2USP30FAAHALDH1A1TSHR
SCHEMBL17618373 0.87 FAAH (0.40) FAAHTSHRFGFR4
SCHEMBL19365762 0.87 FAAH (0.40) FAAHTSHRFGFR4
SCHEMBL17618663 0.87 FAAH (0.42) LRRK2FAAHCYP1A2CYP3A4TSHR
SCHEMBL17618587 0.87 USP30 (0.42) LRRK2MAP4K1JAK2JAK1JAK3
SCHEMBL17618662 0.86 FAAH (0.39) LRRK2JAK2JAK1JAK3FAAH
SCHEMBL17618442 0.86 FAAH (0.41) JAK2USP30FAAHFGFR4

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 657/4885MAP4K1 1876/4885JAK2 2409/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 533/4885MAP4K1 2341/4885JAK2 2392/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LRRK2 533/4885MAP4K1 2341/4885JAK2 2392/4885

“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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