SCHEMBL520454

SCHEMBL520454

COc1ccc(-c2ccc3cnc(SC)nn23)c(OC)c1.CSc1ncc2ccc(Br)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.45
ALK Q9UM73 6/20 0.42
INSR P06213 5/20 0.42
NPM1 P06748 3/20 0.42
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PTK2 Q05397 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL520822 0.93 JAK2 (0.50) JAK2ALKINSRNPM1CKS1B
SCHEMBL521930 0.85 JAK2 (0.48) JAK2ALKINSRNPM1ALDH1A1
SCHEMBL520853 0.84 JAK2 (0.42) JAK2ALKINSRNPM1CKS1B
SCHEMBL520199 0.81 JAK2 (0.44) JAK2ALKINSRNPM1PTK2
SCHEMBL520446 0.79 JAK2 (0.57) JAK2ALKINSRNPM1PTK2
SCHEMBL519628 0.77 POLB (0.33) ALDH1A1LMNAMEN1KMT2A
SCHEMBL520783 0.77 JAK2 (0.52) JAK2ALKINSRNPM1ALDH1A1
SCHEMBL519245 0.75 JAK2 (0.42) JAK2ALKINSRNPM1ALDH1A1
SCHEMBL520504 0.73 JAK2 (0.48) JAK2ALKINSRNPM1ALDH1A1
SCHEMBL521921 0.73 JAK2 (0.47) JAK2ALKINSRNPM1PTK2

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 4 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-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 1/4885ALK 2/4885INSR 1738/4885

“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.