SCHEMBL521758

SCHEMBL521758

Oc1ncc2ccc(-c3cccc4c3OC(F)(F)O4)n2n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.50
PTK2 Q05397 4/20 0.50
JAK3 P52333 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
USP1 O94782 2/20 0.31
KCNH2 Q12809 1/20 0.30
ADORA2A P29274 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL521835 0.83 JAK2 (0.48) JAK2PTK2JAK3USP1KCNH2
SCHEMBL521974 0.81 JAK2 (0.47) JAK2PTK2JAK3FFAR4USP1
SCHEMBL521585 0.71 JAK2 (0.67) JAK2PTK2
SCHEMBL28085896 0.69 GPR3 (0.38) JAK2PTK2JAK3FFAR4KCNH2
SCHEMBL522035 0.66 JAK2 (0.39) JAK2PTK2
SCHEMBL19221993 0.66 INSR (0.46) JAK2PTK2
SCHEMBL18253162 0.65 TDO2 (0.37) JAK2PTK2JAK3FFAR4USP1
SCHEMBL18983858 0.63 MPO (0.35) JAK2PTK2JAK3FFAR4USP1
SCHEMBL8952083 0.63 GPR3 (0.38) JAK2PTK2JAK3FFAR4USP1
SCHEMBL3151886 0.63 FFAR4 (0.34) FFAR4ADORA2AATR

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 1/4885PTK2 592/4885JAK3 6/4885

“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.