SCHEMBL2377936

SCHEMBL2377936

CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CTSL P07711 2/20 0.38
CTSK P43235 11/20 0.38
CTSS P25774 7/20 0.38
ATM Q13315 1/20 0.37
BTK Q06187 1/20 0.36
CYP2D6 P10635 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL2377942 1.00 CA1 (0.40) CA1CA2CA7KMT2AMEN1
SCHEMBL15105955 1.00 CA1 (0.40) CA1CA2CA7KMT2AMEN1
SCHEMBL15105800 0.95 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL1480407 0.95 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL28269476 0.95 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL31374987 0.95 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL583877 0.93 CTSK (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL583878 0.93 CTSK (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL1492103 0.93 CTSK (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL583994 0.89 CTSK (0.36) CA1CA2CA7KMT2AMEN1

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-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK CA1 4489/4885CA2 3020/4885CA7 4185/4885

“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.