SCHEMBL2933630

SCHEMBL2933630

O=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.63
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NMT1 P30419 1/20 0.47
SLC2A1 P11166 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL2927161 0.84 POLB (0.64) SIGMAR1POLBSMN1; SMN2L3MBTL1ALOX15
SCHEMBL30309700 0.77 NMT1 (0.47) NMT1GAA
SCHEMBL2553031 0.77 NMT1 (0.47) NMT1GAA
SCHEMBL270734 0.77 SIGMAR1 (1.00) SIGMAR1POLBSMN1; SMN2L3MBTL1TSHR
SCHEMBL20248784 0.76 POLB (0.96) SIGMAR1POLBSMN1; SMN2L3MBTL1TSHR
SCHEMBL2498510 0.76 L3MBTL1 (0.81) SIGMAR1POLBSMN1; SMN2L3MBTL1ALOX15
SCHEMBL264369 0.75 SIGMAR1 (0.61) SIGMAR1POLBSMN1; SMN2L3MBTL1ALOX15
Hydrochloric Acid SCHEMBL7966303 0.75 L3MBTL1 (0.79) SIGMAR1POLBSMN1; SMN2L3MBTL1ALOX15
SCHEMBL2008541 0.74 NMT1 (0.44) NMT1GAA
SCHEMBL1409464 0.73 SMN1; SMN2 (0.70) POLBSMN1; SMN2L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 SIGMAR1 1647/4885POLB 1721/4885SMN1; SMN2 567/4885

“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.