SCHEMBL522247

SCHEMBL522247

O=S(=O)(CC1CC1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
ATM Q13315 1/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
MMP2 P08253 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSC P53634 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTR7 P34969 4/20 0.39
HTR1A P08908 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL1710731 0.92 MEN1 (0.46) MBTD1L3MBTL3ATMCTSLCTSK
SCHEMBL2413925 0.80 PLCG1 (0.59) MMP2KMT2A
SCHEMBL19692897 0.79 HTR6 (0.43) MMP2ALDH1A1GAAMAPTHTR7
SCHEMBL29650200 0.79 HTR6 (0.43) MMP2ALDH1A1GAAMAPTHTR7
SCHEMBL2535633 0.79 CRBN (0.41) ALDH1A1GAAMAPTCRBNGBA1
SCHEMBL28229855 0.79 ALDH1A1 (0.56) MMP2ALDH1A1GAAMAPTHTR6
SCHEMBL4251866 0.77 PLCG1 (0.56) MBTD1L3MBTL3ATMMMP2L3MBTL1
SCHEMBL19277085 0.77 MMP2 (0.40) MMP2ALDH1A1GAAMAPTHTR6
SCHEMBL99072 0.76 PSIP1 (0.56) ATMMMP2ALDH1A1GAAMEN1
SCHEMBL4371771 0.76 GBA1 (0.66) ATMCTSLCTSKCTSBCTSS

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MBTD1 1746/4885L3MBTL3 3289/4885ATM 1653/4885

“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.