SCHEMBL2276247

SCHEMBL2276247

CCOc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
SNCA P37840 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 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
SCHEMBL2275545 0.87 NPY1R (0.32) MAPTKDM4ESNCALPLLIPG
SCHEMBL2277754 0.85 ADRB1 (0.43) MAPTALDH1A1KMT2AALOX15MAPK1
SCHEMBL14158883 0.76 LPL (0.41) MAPTALDH1A1KDM4EMAPK1NPC1
SCHEMBL30345314 0.75 TP53 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL28978772 0.75 LPL (0.42) LPLLIPG
SCHEMBL23093702 0.75 LPL (0.38) MAPTKMT2ALPLLIPG
SCHEMBL18241139 0.75 HIF1A (0.40) LPLLIPG
SCHEMBL23712498 0.75 TP53 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL1726528 0.75 LPL (0.44) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL2275250 0.74 ADRB1 (0.40) MAPTALDH1A1KDM4EMAPK1SNCA

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 MAPT 3747/4885ALDH1A1 4082/4885KMT2A 1366/4885

“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.