SCHEMBL2275545

SCHEMBL2275545

COCOc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.32
LPL P06858 6/20 0.32
LIPG Q9Y5X9 6/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
PTK2B Q14289 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR2 Q92731 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HIF1A Q16665 2/20 0.31
DGAT1 O75907 2/20 0.30
SNCA P37840 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL2276247 0.87 MAPT (0.40) LPLLIPGKDM4EMAPTNPSR1
SCHEMBL2277927 0.86 FFAR4 (0.33) NPY1RHIF1ADGAT1
SCHEMBL2277754 0.85 ADRB1 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL25180599 0.82 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL14243005 0.74 ADRB1 (0.61) CHRNB2CHRNA4ADRB1
SCHEMBL8264280 0.74 LIPG (0.51) LPLLIPGCA1CA2CA9
SCHEMBL2275250 0.74 ADRB1 (0.40) LPLLIPGCA1CA2CA9
SCHEMBL14158883 0.74 LPL (0.41) LPLLIPGKDM4EMAPTNPSR1
SCHEMBL15064540 0.73 CA1 (0.51) LPLLIPGCA1CA2CA9
SCHEMBL17969127 0.73 ESR2 (0.34) LPLLIPGCA1CA2CA9

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 NPY1R 80/4885LPL 4661/4885LIPG 4267/4885

“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.