SCHEMBL521217

SCHEMBL521217

O=S(=O)(NC1CC1)c1cccc(-c2ccc3cnc(O)nn23)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
JAK2 O60674 7/20 0.44
PTK2 Q05397 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K4 P45985 1/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 2/20 0.40
KIT P10721 1/20 0.40
PIM1 P11309 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
SCHEMBL520134 0.82 JAK2 (0.60) JAK2PTK2ALDH1A1LMNAKDM4E
SCHEMBL519674 0.81 KCNH2 (0.55) JAK2PTK2
SCHEMBL521685 0.79 JAK2 (0.42) BRD4JAK2PTK2
SCHEMBL2482773 0.78 PIK3CD (0.47) BRD4JAK2PTK2ALDH1A1TSHR
SCHEMBL521040 0.78 ALDH1A1 (0.45) JAK2ALDH1A1LMNAKDM4EHPGD
SCHEMBL520602 0.78 KCNH2 (0.44) JAK2PTK2
SCHEMBL521001 0.77 INSR (0.66) BRD4JAK2PTK2
SCHEMBL520603 0.76 JAK2 (0.41) JAK2PTK2
SCHEMBL520605 0.76 JAK2 (0.64) BRD4JAK2PTK2
SCHEMBL520063 0.76 POLB (0.49) BRD4ALDH1A1LMNAKDM4EHPGD

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 BRD4 23/4885BRD2 311/4885BRD3 382/4885

“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.