SCHEMBL18650890

SCHEMBL18650890

CC(C)[Si](O[C@H]1CC[C@@H](n2c(N)nc3cc(N4CCOCC4=O)ccc32)CC1)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.37
▸ LRRK2 Q5S007 3/20 0.36
▸ PTGS2 P35354 12/20 0.36
▸ F10 P00742 1/20 0.35
▸ RPS6KB1 P23443 3/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ ROCK1 Q13464 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
SCHEMBL18650891 1.00 GPR119 (0.37) GPR119LRRK2PTGS2F10RPS6KB1
SCHEMBL18650892 0.87 LRRK2 (0.35) GPR119LRRK2PTGS2F10
SCHEMBL23618026 0.85 PTGS2 (0.41) LRRK2PTGS2F10RPS6KB1PRKACA
SCHEMBL18650901 0.82 PTGS2 (0.46) PTGS2F10RPS6KB1PRKACAGSK3B
SCHEMBL23617944 0.81 PTGS2 (0.41) LRRK2PTGS2F10RPS6KB1PRKACA
SCHEMBL18650889 0.81 LRRK2 (0.34) GPR119LRRK2PTGS2F10RPS6KB1
SCHEMBL18650911 0.80 PIK3CA (0.39) LRRK2PTGS2F10
SCHEMBL18667872 0.80 PIK3CA (0.39) LRRK2PTGS2F10
SCHEMBL18650909 0.80 PTGS2 (0.40) PTGS2F10RPS6KB1PRKACAGSK3B
SCHEMBL18650886 0.79 LRRK2 (0.36) GPR119LRRK2PTGS2F10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
WO-2017049068-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — 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-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 GPR119 1089/4885LRRK2 86/4885PTGS2 3203/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 GPR119 1089/4885LRRK2 86/4885PTGS2 3203/4885

“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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