SCHEMBL17636833

SCHEMBL17636833

COc1c(F)cccc1-c1n[nH]c2ncc(-c3cnc(N4CCOCC4)s3)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ TYK2 P29597 1/20 0.37
▸ LRRK2 Q5S007 7/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ AR P10275 2/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ MAP4K1 Q92918 2/20 0.36
▸ IL2 P60568 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 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
SCHEMBL17636848 0.89 PDE7A (0.39) PDE7APDE3APDE10ARAF1BRAF
SCHEMBL15805290 0.86 BTK (0.49) LRRK2MAP4K1IL2
SCHEMBL17636863 0.85 AR (0.51) ARMAPT
SCHEMBL17636850 0.80 RAF1 (0.36) PDE7APDE3APDE10ARAF1BRAF
SCHEMBL12342848 0.79 JAK2 (0.53) TYK2LRRK2
SCHEMBL17636831 0.78 IKBKE (0.38) CNR2CHEK1
SCHEMBL17636839 0.78 IKBKE (0.39) CNR2CHEK1
SCHEMBL17636870 0.77 RAF1 (0.41) RAF1BRAFCNR2CHEK1MAPT
SCHEMBL15799748 0.76 SIK1 (0.51) PDE7APDE3APDE10ALRRK2AR
SCHEMBL17640277 0.75 EGFR (0.43) TYK2LRRK2CHEK1MAPT

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 PDE7A 1611/4885PDE3A 2777/4885PDE10A 3078/4885

“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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