SCHEMBL17636843

SCHEMBL17636843

COc1c(F)cc(F)cc1-c1n[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.44
▸ ITK Q08881 4/20 0.44
▸ PLK4 O00444 12/20 0.41
▸ MAP2K4 P45985 2/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.39
▸ PAK4 O96013 2/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ TBK1 Q9UHD2 2/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ MAP3K20 Q9NYL2 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
SCHEMBL17636845 0.92 BTK (0.46) BTKITKPLK4MAP2K4PTGES2
SCHEMBL17636837 0.91 BTK (0.45) BTKITKPLK4MAP2K4PTGES2
SCHEMBL15799667 0.85 BTK (0.60) BTKITKNTRK1
SCHEMBL17636849 0.83 BTK (0.43) BTKITKPLK4MAP2K4PAK4
SCHEMBL17636842 0.83 BTK (0.44) BTKITKPLK4MAP2K4PTGES2
SCHEMBL15805441 0.78 BTK (0.59) BTKITKPLK4NTRK1
SCHEMBL15799619 0.77 BTK (0.63) BTKITKPLK4NTRK1
SCHEMBL17636857 0.76 BTK (0.43) BTKITKPLK4PAK4NTRK1
SCHEMBL16023225 0.75 PTPN11 (0.40) BTKITKPLK4PTGES2
SCHEMBL21677092 0.75 TRPV3 (0.39) BTKITKPLK4PTGES2PAK4

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 BTK 505/4885ITK 267/4885PLK4 45/4885

“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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