SCHEMBL14738065

SCHEMBL14738065

C[C@H](CCC#N)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.54
CTSK P43235 13/20 0.54
CTSL P07711 4/20 0.51
CTSB P07858 3/20 0.51
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2506424 0.84 CA1 (0.59) CTSSCTSKCTSLCTSBCA1
SCHEMBL31059527 0.83 CA1 (0.46) CTSSCTSKCTSLCTSBCA1
SCHEMBL25166215 0.83 CA1 (0.46) CTSSCTSKCTSLCTSBCA1
SCHEMBL31059710 0.83 CA1 (0.46) CTSSCTSKCTSLCTSBCA1
SCHEMBL86153 0.83 CTSK (0.56) CTSSCTSKCTSLCTSBCA1
SCHEMBL4118840 0.83 CTSK (0.56) CTSSCTSKCTSLCTSBCA1
SCHEMBL86185 0.83 CTSK (0.56) CTSSCTSKCTSLCTSBCA1
SCHEMBL11931453 0.83 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL3238391 0.82 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL3238402 0.82 CTSS (0.50) CTSSCTSKCTSLCTSBCA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 CTSS 1854/4885CTSK 876/4885CTSL 1772/4885

“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.