SCHEMBL2275277

SCHEMBL2275277

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ADRB1 P08588 1/20 0.38
FAAH O00519 7/20 0.37
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
SNCA P37840 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CSF1R P07333 1/20 0.33
PRKDC P78527 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL2277754 0.85 ADRB1 (0.43) ALDH1A1ADRB1CA2CA1CA9
SCHEMBL2275250 0.82 ADRB1 (0.40) ALDH1A1ADRB1CA2CA1CA9
SCHEMBL14243005 0.82 ADRB1 (0.61) ADRB1TGFBR1ACVR1
SCHEMBL14321720 0.81 FAAH (0.41) ALDH1A1FAAHKDM4ELPLLIPG
SCHEMBL14158793 0.81 HTT (0.42) ALDH1A1ADRB1KDM4EFFAR4
SCHEMBL1236200 0.80 KDM4E (0.46) ALDH1A1TGFBR1ACVR1CA2CA1
SCHEMBL15753879 0.76 MAPT (0.47) ALDH1A1
SCHEMBL25364898 0.76 PDE4A (0.36) CA2CA1CA9SNCACSF1R
SCHEMBL30557694 0.76 PDE4A (0.36) CA2CA1CA9SNCACSF1R
SCHEMBL1560148 0.74 ALDH1A1 (0.46) ALDH1A1CA2CA1CA9SNCA

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
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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 (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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 ALDH1A1 4082/4885ADRB1 3821/4885FAAH 3854/4885

“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.