SCHEMBL1890130

SCHEMBL1890130

Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(C)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
UBE2N P61088 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR6 P50406 8/20 0.41
KLK7 P49862 4/20 0.41
ALK Q9UM73 1/20 0.39
CYP19A1 P11511 1/20 0.39
PKM P14618 1/20 0.38
ALOX5 P09917 1/20 0.37
KDM1A O60341 1/20 0.37
ELANE P08246 1/20 0.36
PRTN3 P24158 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
SCHEMBL12011377 0.91 HTR6 (0.43) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL1888127 0.90 KDM4E (0.41) KDM4EUBE2NL3MBTL1HTR6ALK
SCHEMBL1894122 0.89 HTR6 (0.55) HTR6
SCHEMBL30088058 0.88 HTR6 (0.45) KDM4EUBE2NL3MBTL1HTR6ALK
SCHEMBL10182014 0.88 KDM4E (0.56) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL29414046 0.88 KDM4E (0.56) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL9904700 0.85 L3MBTL1 (0.41) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL12614952 0.85 CYP2C9 (0.43) KDM4EUBE2NHTR6ALOX5
SCHEMBL1892254 0.84 HTR6 (0.39) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL1887673 0.84 HTR6 (0.52) KDM4EUBE2NL3MBTL1HTR6KLK7

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
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 KDM4E 598/4885UBE2N 1819/4885L3MBTL1 4288/4885

“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.