SCHEMBL520575

SCHEMBL520575

COc1cc(F)ccc1-c1ccc2cnc([S+](C)[O-])nn12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.43
KCNH2 Q12809 7/20 0.39
FLT3 P36888 2/20 0.39
KIT P10721 1/20 0.39
PIM1 P11309 1/20 0.39
CDK7 P50613 1/20 0.39
PIM3 Q86V86 1/20 0.39
HASPIN Q8TF76 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ALK Q9UM73 5/20 0.38
INSR P06213 4/20 0.38
NPM1 P06748 3/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL520504 0.87 JAK2 (0.48) JAK2ALKINSRNPM1CYP3A4
SCHEMBL519194 0.87 JAK2 (0.55) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520046 0.86 JAK2 (0.40) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520835 0.82 JAK2 (0.44) JAK2ALKINSRNPM1CYP3A4
SCHEMBL521186 0.81 JAK2 (0.47) JAK2ALKINSRNPM1CYP3A4
SCHEMBL519979 0.81 JAK2 (0.41) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520262 0.81 JAK2 (0.46) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520853 0.80 JAK2 (0.42) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520035 0.80 JAK2 (0.41) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520039 0.80 JAK2 (0.38) JAK2PIM1PIM2ALKINSR

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 JAK2 1/4885KCNH2 389/4885FLT3 19/4885

“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.