SCHEMBL2275609

SCHEMBL2275609

COc1cc(Br)cc(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ADRB1 P08588 3/20 0.46
FAAH O00519 7/20 0.42
KDM4E B2RXH2 1/20 0.41
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAPT P10636 2/20 0.38
IGF1R P08069 2/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 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
SCHEMBL23657300 0.82 ADRB1 (0.50) ALDH1A1ADRB1KDM4EMAPTHTR3A
SCHEMBL2281372 0.82 ADRB1 (0.53) ALDH1A1ADRB1MAPTHTR3EHTR3B
SCHEMBL9888730 0.78 ALDH1A1 (0.61) ALDH1A1ADRB1FAAHKDM4ETGFBR1
SCHEMBL11697014 0.78 ADRB1 (0.61) ALDH1A1ADRB1FAAHKDM4EMAPT
SCHEMBL2275396 0.78 ADRB1 (0.49) ALDH1A1ADRB1KDM4EMAPTIGF1R
SCHEMBL2277657 0.74 ADRB1 (0.56) ALDH1A1ADRB1KDM4EMAPTIGF1R
SCHEMBL14322235 0.73 FAAH (0.49) ALDH1A1FAAHKDM4E
SCHEMBL2275277 0.73 ALDH1A1 (0.39) ALDH1A1ADRB1FAAHKDM4ETGFBR1
SCHEMBL1235260 0.72 KDM4E (0.59) ALDH1A1FAAHKDM4ETGFBR1ACVR1
SCHEMBL12551011 0.71 ALDH1A1 (0.53) ALDH1A1FAAHKDM4ETGFBR1ACVR1

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 ALDH1A1 4082/4885ADRB1 3821/4885FAAH 3854/4885

“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.