SCHEMBL2277754

SCHEMBL2277754

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.43
SNCA P37840 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
MAPT P10636 4/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
LPL P06858 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 2/20 0.34
NR4A1 P22736 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL14243005 0.88 ADRB1 (0.61) ADRB1CHRNB2CHRNA4
SCHEMBL2275250 0.88 ADRB1 (0.40) ADRB1SNCAMAPTLPLLIPG
SCHEMBL2275545 0.85 NPY1R (0.32) ADRB1SNCACHRNB2CHRNA4MAPT
SCHEMBL2275277 0.85 ALDH1A1 (0.39) ADRB1SNCALPLLIPGCA1
SCHEMBL2276247 0.85 MAPT (0.40) SNCAMAPTALOX15LPLLIPG
SCHEMBL14158793 0.83 HTT (0.42) ADRB1MAPTALDH1A1LMNAMAPK1
SCHEMBL14158883 0.79 LPL (0.41) MAPTTSHRLPLLIPGALDH1A1
SCHEMBL1560148 0.79 ALDH1A1 (0.46) SNCALPLLIPGCA1CA2
SCHEMBL21313419 0.79 SNCA (0.43) SNCALPLLIPGCA1CA2
SCHEMBL15753879 0.79 MAPT (0.47) MAPTTSHRALDH1A1LMNAKMT2A

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 ADRB1 3821/4885SNCA 3676/4885CHRNB2 4767/4885

“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.