SCHEMBL17636834

SCHEMBL17636834

COc1c(N2CCOCC2)ccc(F)c1-c1n[nH]c2ncc(-c3ccc(C)o3)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.37
▸ LRRK2 Q5S007 5/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ MAP4K1 Q92918 3/20 0.35
▸ IL2 P60568 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL17636836 0.92 MAP4K1 (0.41) ADORA2AMAP4K1
SCHEMBL15805308 0.85 MAP4K1 (0.47) LRRK2MAP4K1IL2PIK3CA
SCHEMBL17636835 0.83 LRRK2 (0.42) LRRK2MAP4K1IL2TBK1PIK3CA
SCHEMBL15805286 0.77 MAP4K1 (0.45) MAP4K1IL2TNIK
SCHEMBL17636830 0.75 BTK (0.39) CCNT1CDK9MAP4K1
SCHEMBL17636832 0.75 BTK (0.38) MAP4K1PIK3CA
SCHEMBL15805294 0.75 MAP4K1 (0.43) LRRK2MAP4K1IL2PIK3CAPIK3CD
SCHEMBL15805301 0.68 MAP4K1 (0.49) LRRK2CCNT1CDK9MAP4K1IL2
SCHEMBL17636833 0.67 PDE7A (0.39) ADORA2ALRRK2MAP4K1IL2
SCHEMBL17636863 0.66 AR (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 — — US disclosed
US-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 — — US disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 — — US disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 — — 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 (1 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-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors SIK2, SIK1, SIK3 ADORA2A 4023/4885LRRK2 706/4885CCNT1 2724/4885

“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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