SCHEMBL1635145

SCHEMBL1635145

O=S(=O)(Nc1cc(Br)cc2[nH]ccc12)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.77
ESR1 P03372 2/20 0.52
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
FBP1 P09467 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1633816 0.87 HTR6 (0.77) HTR6ESR1FBP1ALDH1A1
SCHEMBL1635040 0.87 HTR6 (1.00) HTR6ESR1FBP1KMT2ATSHR
SCHEMBL1633740 0.86 HTR6 (0.76) HTR6ESR1FBP1ALDH1A1
SCHEMBL1635033 0.84 HTR6 (0.72) HTR6ESR1KEAP1NFE2L2ALDH1A1
SCHEMBL1633675 0.78 HTR6 (0.63) HTR6KEAP1NFE2L2FBP1KMT2A
SCHEMBL1634443 0.77 HTR6 (0.63) HTR6ESR1KEAP1FBP1ALDH1A1
SCHEMBL7595505 0.72 KEAP1 (0.59) KEAP1NFE2L2MEN1KMT2ATSHR
SCHEMBL24715417 0.72 HTR6 (0.47) HTR6ESR1
SCHEMBL7594942 0.68 KEAP1 (0.62) KEAP1NFE2L2MEN1KMT2ATSHR
SCHEMBL115237 0.68 PIK3CD (0.62)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
CN-101945877-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-12 CN disclosed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US 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-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 HTR6 4366/4885ESR1 3635/4885KEAP1 1250/4885

“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.