SCHEMBL520063

SCHEMBL520063

O=S(=O)(c1cccc(-c2ccc3cnc(O)nn23)c1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
DCUN1D1 Q96GG9 2/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 4/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 3/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
HIF1A Q16665 1/20 0.46
PIK3CA P42336 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 2/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL521040 0.90 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10USP2HPGD
SCHEMBL519674 0.80 KCNH2 (0.55)
SCHEMBL520782 0.78 INSR (0.54) POLBALDH1A1GAALMNAMAPK1
SCHEMBL521685 0.78 JAK2 (0.42) BRD4
SCHEMBL2520439 0.78 MEN1 (0.49) POLBDCUN1D1ALDH1A1GAAHSD17B10
SCHEMBL520683 0.77 INSR (0.68) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL520602 0.77 KCNH2 (0.44)
SCHEMBL521217 0.76 BRD4 (0.46) ALDH1A1HPGDKDM4EHTTNPSR1
SCHEMBL520603 0.75 JAK2 (0.41)
SCHEMBL520134 0.74 JAK2 (0.60) ALDH1A1HPGDMAPTKDM4ELMNA

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 POLB 860/4885DCUN1D1 3174/4885ALDH1A1 779/4885

“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.