SCHEMBL2379981

SCHEMBL2379981

CC1(C)OB(c2cccc(N3CC4CC4C3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.42
LPL P06858 8/20 0.42
IRAK4 Q9NWZ3 1/20 0.35
RBP4 P02753 1/20 0.34
ROCK1 Q13464 1/20 0.33
BPTF Q12830 1/20 0.32
BACE1 P56817 1/20 0.31
HTR7 P34969 2/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL25965934 0.89 LIPG (0.40) LIPGLPLIRAK4RBP4ROCK1
SCHEMBL12372611 0.88 LIPG (0.39) LIPGLPLIRAK4ROCK1BACE1
SCHEMBL19464248 0.86 LIPG (0.42) LIPGLPLIRAK4ROCK1BACE1
SCHEMBL14321412 0.84 HSD17B10 (0.41) LIPGLPLIRAK4ROCK1
SCHEMBL14321414 0.84 HSD17B10 (0.41) LIPGLPLIRAK4ROCK1
SCHEMBL14321849 0.83 LIPG (0.40) LIPGLPLIRAK4ROCK1BACE1
SCHEMBL19463321 0.82 LIPG (0.39) LIPGLPLIRAK4ROCK1BACE1
SCHEMBL17027126 0.81 NOTUM (0.46) LIPGLPLROCK1
SCHEMBL1726528 0.81 LPL (0.44) LIPGLPLIRAK4ROCK1
SCHEMBL1701553 0.81 LPL (0.44) LIPGLPLIRAK4ROCK1

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 9 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
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 LIPG 3995/4885LPL 4542/4885IRAK4 27/4885

“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.