SCHEMBL2379178

SCHEMBL2379178

Brc1cc(OC2CCCC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 15/20 0.46
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
FDPS P14324 1/20 0.39
ROCK1 Q13464 2/20 0.38
ABL1 P00519 1/20 0.38
ROCK2 O75116 1/20 0.38
KCNH2 Q12809 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
SCHEMBL3294489 0.85 LRRK2 (0.41) LNPEP
SCHEMBL19463811 0.81 GRM5 (0.36) LNPEPROCK1
Hydrochloric Acid SCHEMBL31044701 0.79 SLC6A4 (0.47) ROCK1ROCK2KCNH2
SCHEMBL3301120 0.79 LRRK2 (0.43)
SCHEMBL12247661 0.79 GRM5 (0.45) LNPEPLOXLOXL2FDPS
SCHEMBL17396913 0.78 LNPEP (0.35) LNPEPROCK1
SCHEMBL13791566 0.78 LOX (0.50) LNPEPLOXLOXL2ABL1
SCHEMBL13791457 0.77 GRM5 (0.46) LNPEPLOXLOXL2ABL1
SCHEMBL190777 0.77 LOX (0.45) LNPEPLOXLOXL2FDPSABL1
SCHEMBL13802796 0.77 LNPEP (0.52) LNPEP

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 5 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
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN 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

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 LNPEP 2818/4885LOX 1136/4885LOXL2 2246/4885

“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.