SCHEMBL17618481

SCHEMBL17618481

COc1nccc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ TNIK Q9UKE5 2/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ LRRK2 Q5S007 5/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 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
SCHEMBL19706206 0.89 CA9 (0.37) USP2ALDH1A1
SCHEMBL17618381 0.89 CCNE1 (0.37) LRRK2GRM5PDE4DPDE4APDE4B
SCHEMBL17618392 0.89 NTRK1 (0.39) GPR6PDE4DPDE4APDE4BPDE4C
SCHEMBL17618487 0.87 CARM1 (0.38) —
SCHEMBL17618382 0.87 CA2 (0.39) USP2ALDH1A1CYP1A2LMNATSHR
SCHEMBL17618456 0.87 LRRK2 (0.41) GPR6KCNH2TNIKUSP30LRRK2
SCHEMBL17618490 0.87 GPR6 (0.40) GPR6KCNH2TNIKUSP30LRRK2
SCHEMBL17618489 0.86 THRB (0.44) GPR6USP30LRRK2PDE4DPDE4A
SCHEMBL17618484 0.86 GRM5 (0.41) USP30LRRK2GRM5PDE4DPDE4A
SCHEMBL17618444 0.86 USP30 (0.42) USP30LRRK2PDE4DPDE4APDE4B

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 GPR6 3200/4885KCNH2 4187/4885TNIK 3475/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR6 2629/4885KCNH2 4052/4885TNIK 3462/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GPR6 2629/4885KCNH2 4052/4885TNIK 3462/4885

“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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