SCHEMBL1633740

SCHEMBL1633740

O=S(=O)(Nc1cc(Br)cc2[nH]ccc12)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.76
FBP1 P09467 1/20 0.54
ESR1 P03372 1/20 0.45
PIK3CD O00329 4/20 0.44
RECQL P46063 1/20 0.43
EP300 Q09472 1/20 0.43
SLC40A1 Q9NP59 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
EGFR P00533 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL1635145 0.86 HTR6 (0.77) HTR6FBP1ESR1ALDH1A1
SCHEMBL1633816 0.86 HTR6 (0.77) HTR6FBP1ESR1EP300ALDH1A1
SCHEMBL1635040 0.86 HTR6 (1.00) HTR6FBP1ESR1EP300ALDH1A1
SCHEMBL1633675 0.85 HTR6 (0.63) HTR6FBP1SLC40A1
SCHEMBL1635033 0.83 HTR6 (0.72) HTR6ESR1ALDH1A1LMNA
SCHEMBL1634443 0.80 HTR6 (0.63) HTR6FBP1ESR1KDM4EALDH1A1
SCHEMBL5746400 0.80 HTR6 (0.76) HTR6PIK3CDRECQLSLC40A1KDM4E
SCHEMBL2213843 0.78 ESR1 (0.51) HTR6ESR1PIK3CAALDH1A1LMNA
SCHEMBL10611946 0.71 SLC40A1 (0.51) RECQLEP300SLC40A1ALDH1A1
SCHEMBL15651558 0.70 IMPDH2 (0.46) HTR6ESR1PIK3CAALDH1A1LMNA

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 4366/4885FBP1 1860/4885ESR1 3635/4885

“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.