SCHEMBL2277657

SCHEMBL2277657

COc1cc(Br)cc(N2CCCC2)c1.COc1cccc(N2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.56
MAPT P10636 6/20 0.52
NPC1 O15118 3/20 0.52
KCNH2 Q12809 2/20 0.51
DRD2 P14416 1/20 0.51
IGF1R P08069 1/20 0.50
TSHR P16473 3/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 2/20 0.46
QSOX1 O00391 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2281372 0.91 ADRB1 (0.53) ADRB1MAPTNPC1TSHRALOX15
SCHEMBL30255158 0.87 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL3051915 0.87 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL3035322 0.85 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL30180110 0.85 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23675047 0.84 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL11074672 0.80 ADRB1 (0.76) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23657300 0.78 ADRB1 (0.50) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL2275396 0.76 ADRB1 (0.49) ADRB1MAPTNPC1IGF1RALDH1A1
SCHEMBL1353556 0.76 MEN1 (0.52) MAPTALOX15MEN1KMT2AALDH1A1

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-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
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
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 3821/4885MAPT 3747/4885NPC1 4818/4885

“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.