SCHEMBL2275396

SCHEMBL2275396

COc1cc(Br)cc(N2CCSCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.49
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
LGMN Q99538 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 4/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IGF1R P08069 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL2281372 0.84 ADRB1 (0.53) ADRB1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL23657300 0.81 ADRB1 (0.50) ADRB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL2275609 0.78 ALDH1A1 (0.47) ADRB1KDM4EALDH1A1HTR3EHTR3B
SCHEMBL902160 0.77 HTR3E (0.61) ADRB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL2277657 0.76 ADRB1 (0.56) ADRB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL28218775 0.76 ADRB1 (0.65) ADRB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL26446735 0.72 ALDH1A1 (0.51) KDM4EALDH1A1NPC1RAB9ALGMN
SCHEMBL13689412 0.71 ADRB1 (0.38) ADRB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL2275250 0.71 ADRB1 (0.40) ADRB1KDM4EALDH1A1NPC1RAB9A
SCHEMBL24848428 0.70 ABCB1 (0.55) ALDH1A1L3MBTL1MAPT

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 10 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
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 3821/4885KDM4E 581/4885ALDH1A1 4082/4885

“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.