SCHEMBL8512175

SCHEMBL8512175

CC(C)CC1CN(c2cncc(I)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ NR1H3 Q13133 6/20 0.37
▸ NR1H2 P55055 5/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ HRH3 Q9Y5N1 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
SCHEMBL8512178 1.00 HDAC1 (0.41) HDAC1JAK3PIK3CDMAP4K4DPP4
SCHEMBL38666771 0.88 JAK3 (0.41) HDAC1JAK3PIK3CDMAP4K4DPP4
SCHEMBL1830825 0.85 PIK3CD (0.44) HDAC1JAK3PIK3CDHRH3
SCHEMBL1829843 0.78 PRKCQ (0.40) HDAC1JAK3PIK3CDMAP4K4DPP4
SCHEMBL8513229 0.78 PRKCQ (0.40) HDAC1JAK3PIK3CDMAP4K4DPP4
SCHEMBL38665390 0.78 HDAC1 (0.42) HDAC1JAK3MAP4K4DPP4GPR119
SCHEMBL38665461 0.77 PARP1 (0.42) HDAC1JAK3MAP4K4DPP4GPR119
SCHEMBL38664367 0.77 PARP1 (0.42) HDAC1JAK3MAP4K4DPP4GPR119
SCHEMBL38664019 0.76 HDAC1 (0.41) HDAC1JAK3MAP4K4DPP4GPR119
SCHEMBL38666115 0.76 HDAC1 (0.41) HDAC1JAK3MAP4K4DPP4GPR119

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-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 — — EP disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
US-8569337-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-29 — — US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 — — US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — 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 (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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA HDAC1 1482/4885JAK3 349/4885PIK3CD 74/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA HDAC1 1482/4885JAK3 349/4885PIK3CD 74/4885

“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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