SCHEMBL8513229

SCHEMBL8513229

CC(C)C[C@H]1CN(c2cncc(C(=O)c3cccnc3F)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 10/20 0.40
▸ PRKCD Q05655 5/20 0.40
▸ PRKCA P17252 4/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ PRKCB P05771 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ NR1H3 Q13133 2/20 0.34
▸ NR1H2 P55055 1/20 0.34

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
SCHEMBL1829843 1.00 PRKCQ (0.40) PRKCQPRKCDPRKCAHDAC1JAK3
SCHEMBL1828261 0.89 PRKCQ (0.43) PRKCQPRKCDPRKCAJAK3PRKCB
SCHEMBL10451288 0.81 PPARG (0.36) PRKCQPRKCDPRKCAHDAC1DPP4
SCHEMBL8512175 0.78 HDAC1 (0.41) HDAC1JAK3DPP4PIK3CDPARP1
SCHEMBL8512178 0.78 HDAC1 (0.41) HDAC1JAK3DPP4PIK3CDPARP1
SCHEMBL38666771 0.78 JAK3 (0.41) HDAC1JAK3DPP4PIK3CDMAP4K4
SCHEMBL17525864 0.73 PRKCQ (0.63) PRKCQPRKCDPRKCAHDAC1PRKCB
SCHEMBL31087049 0.71 HDAC1 (0.40) HDAC1DPP4PARP1MAP4K4GPR119
SCHEMBL38665390 0.69 HDAC1 (0.42) HDAC1JAK3DPP4PARP1MAP4K4
SCHEMBL1922854 0.68 PRKCQ (0.37) PRKCQPRKCDPRKCAJAK3PRKCB

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 11 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-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US 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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 — — 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
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — 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 PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885

“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.

Send feedback