SCHEMBL1370068

SCHEMBL1370068

CC(C)(C)OC(=O)NC(C#N)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.48
CTSS P25774 10/20 0.48
CTSL P07711 3/20 0.41
CTSB P07858 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
BTK Q06187 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6066724 0.90 CTSK (0.43) CTSKCTSSCTSLCTSBCA1
SCHEMBL31485637 0.81 CTSK (0.40) CTSKCTSSCTSLCTSBBTK
SCHEMBL32691099 0.81 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL14167285 0.80 CTSK (0.45) CTSKCTSSCTSLCTSBCA1
SCHEMBL14152326 0.80 CTSK (0.45) CTSKCTSSCTSLCTSBCA1
SCHEMBL5641646 0.78 CTSK (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL8395483 0.78 CTSK (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL23894823 0.77 CNR2 (0.34) CTSKCTSS
SCHEMBL24439605 0.75 CA1 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL25281173 0.75 CA1 (0.47) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-5733882-A Retroviral protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1998-03-31 US disclosed
EP-0602069-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
EP-0602069-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-22 EP disclosed
WO-1993002057-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-04 WO 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 CTSK 932/4885CTSS 1836/4885CTSL 1714/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 CTSK 932/4885CTSS 1836/4885CTSL 1714/4885

“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.