SCHEMBL1636619

SCHEMBL1636619

CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(Br)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
CYP2C9 P11712 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
CPT2 P23786 2/20 0.49
CPT1A P50416 2/20 0.49
POLB P06746 2/20 0.47
CPT1B Q92523 1/20 0.47

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
SCHEMBL4561797 0.80 NR1H3 (0.56) PKMCYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL1633443 0.80 NPC1 (0.53) PKMCYP2C9KMT2AMEN1ALDH1A1
SCHEMBL12354747 0.74 PKM (1.00) PKMKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL28823982 0.73 RORC (0.66) CYP2C9KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL31750691 0.72 CYP2C9 (0.71) CYP2C9KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL34475705 0.72 CYP2C9 (0.71) CYP2C9KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12354740 0.71 PKM (1.00) PKMKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL24286266 0.70 PKM (0.57) PKMCYP2C9KMT2ACPT2CPT1A
SCHEMBL18581887 0.70 CYP2C9 (0.66) PKMCYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL753865 0.70 CPT1A (0.79) CYP2C9CPT2CPT1ACPT1B

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 5 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
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 PKM 1211/4885CYP2C9 3169/4885KMT2A 1326/4885

“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.