SCHEMBL1633816

SCHEMBL1633816

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.77
FBP1 P09467 1/20 0.55
ESR1 P03372 2/20 0.52
CCR2 P41597 5/20 0.49
METAP2 P50579 1/20 0.48
SLC10A2 Q12908 1/20 0.44
SLC10A1 Q14973 1/20 0.44
SLC10A6 Q3KNW5 1/20 0.44
EP300 Q09472 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 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
SCHEMBL1635145 0.87 HTR6 (0.77) HTR6FBP1ESR1ALDH1A1
SCHEMBL1635040 0.87 HTR6 (1.00) HTR6FBP1ESR1EP300ALDH1A1
SCHEMBL1633740 0.86 HTR6 (0.76) HTR6FBP1ESR1EP300ALDH1A1
SCHEMBL1635033 0.84 HTR6 (0.72) HTR6ESR1ALDH1A1
SCHEMBL1633675 0.78 HTR6 (0.63) HTR6FBP1
SCHEMBL1634443 0.77 HTR6 (0.63) HTR6FBP1ESR1ALDH1A1
SCHEMBL7587644 0.72 CES1 (0.58) HTR6CCR2METAP2SLC10A2SLC10A1
SCHEMBL2844017 0.70 HTR6 (0.65) HTR6FBP1ESR1
SCHEMBL4874851 0.67 CCR2 (0.65) CCR2METAP2SLC10A2SLC10A1SLC10A6
SCHEMBL22263519 0.67 HTR6 (0.42) HTR6ESR1ALDH1A1

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.