SCHEMBL520049

SCHEMBL520049

COc1ccccc1-c1c(Br)c(Br)c2cnc([S+](C)[O-])nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.36
JAK2 O60674 2/20 0.34
IGF1R P08069 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
FYN P06241 6/20 0.33
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL519968 0.77 PLK1 (0.39) PLK1JAK2ALDH1A1KDM4EPOLB
SCHEMBL519194 0.76 JAK2 (0.55) JAK2CYP3A4
SCHEMBL10259107 0.71
SCHEMBL520262 0.70 JAK2 (0.46) JAK2FYNCYP3A4
SCHEMBL520003 0.69 JAK2 (0.69) JAK2IGF1RALDH1A1KDM4ECYP3A4
SCHEMBL520035 0.68 JAK2 (0.41) JAK2FYNCYP3A4
SCHEMBL520801 0.66 MAPT (0.37) JAK2IGF1RALDH1A1GAALMNA
SCHEMBL522559 0.66 JAK2 (0.44) JAK2CYP3A4
SCHEMBL521204 0.66 JAK2 (0.44) JAK2CYP3A4
SCHEMBL521355 0.65 JAK2 (0.43) JAK2CYP3A4

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 PLK1 153/4885JAK2 1/4885IGF1R 1028/4885

“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.