SCHEMBL17618490

SCHEMBL17618490

COc1cncc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 3/20 0.40
▸ BRAF P15056 1/20 0.40
▸ GRM5 P41594 2/20 0.38
▸ LRRK2 Q5S007 4/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ TNIK Q9UKE5 2/20 0.35
▸ USP30 Q70CQ3 2/20 0.34
▸ NEK2 P51955 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL17618435 0.89 GRM5 (0.36) BRAFGRM5LRRK2NEK2
SCHEMBL17618456 0.88 LRRK2 (0.41) GPR6LRRK2KCNH2TNIKUSP30
SCHEMBL17618601 0.88 POLQ (0.38) BRAFNEK2
SCHEMBL19670287 0.87 PHGDH (0.38) —
SCHEMBL17618481 0.87 GPR6 (0.40) GPR6GRM5LRRK2KCNH2TNIK
SCHEMBL17618489 0.86 THRB (0.44) GPR6LRRK2USP30
SCHEMBL19706067 0.85 NEK2 (0.34) BRAFNEK2
SCHEMBL17618494 0.85 HPGDS (0.39) BRAFNEK2
SCHEMBL19670391 0.85 NEK2 (0.34) BRAFNEK2
SCHEMBL19365517 0.85 BRAF (0.40) GPR6BRAFGRM5LRRK2KCNH2

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 3200/4885BRAF 2804/4885GRM5 4062/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR6 2629/4885BRAF 3419/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GPR6 2629/4885BRAF 3419/4885GRM5 3471/4885

“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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