SCHEMBL17636830

SCHEMBL17636830

COc1c(F)cccc1-c1n[nH]c2ncc(-c3ccc(C)o3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ ITK Q08881 2/20 0.39
▸ GSK3B P49841 3/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ MAP3K20 Q9NYL2 2/20 0.34
▸ MAP3K11 Q16584 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL17636832 0.88 BTK (0.38) BTKITKGSK3BMAP3K20MAP3K11
SCHEMBL15798401 0.83 BTK (0.56) BTKITKMAP3K11KIT
SCHEMBL17636842 0.75 BTK (0.44) BTKITKGSK3BABL1FLT3
SCHEMBL17636834 0.75 ADORA2A (0.37) CCNT1CDK9MAP4K1
SCHEMBL17636836 0.75 MAP4K1 (0.41) MAP4K1
SCHEMBL12342935 0.74 MAP4K1 (0.51) BTKITKABL1MAP4K1
SCHEMBL20078757 0.73 GRM5 (0.34) BTKITKGSK3BCCNT1CDK9
SCHEMBL17636837 0.73 BTK (0.45) BTKITKGSK3BABL1FLT3
SCHEMBL17636831 0.73 IKBKE (0.38) BTKITKMEN1ALDH1A1KMT2A
SCHEMBL17636833 0.73 PDE7A (0.39) MAPTMAP4K1

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 267/4885GSK3B 692/4885

“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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